Browse entries in the PDBbind-CN Database
HEADER 3IWY_COMPLEX COMPND 3IWY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 82 THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU LEU SEQRES 2 A 82 LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET LYS SEQRES 3 A 82 GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR LYS SEQRES 4 A 82 ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR CYS SEQRES 5 A 82 SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO SER SEQRES 6 A 82 PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET ILE SEQRES 7 A 82 TYR ARG ASN LEU HET DAS A 138 213 ATOM 1 N THR A 26 4.433 0.474 9.001 1.00 26.51 N ATOM 2 CA THR A 26 3.466 -0.631 9.284 1.00 26.32 C ATOM 3 C THR A 26 3.094 -0.748 10.790 1.00 25.87 C ATOM 4 O THR A 26 3.915 -1.060 11.650 1.00 26.02 O ATOM 5 CB THR A 26 3.953 -1.979 8.737 1.00 26.51 C ATOM 6 OG1 THR A 26 3.954 -1.944 7.309 1.00 27.42 O ATOM 7 CG2 THR A 26 3.044 -3.132 9.201 1.00 28.32 C ATOM 8 HA THR A 26 2.554 -0.360 8.753 1.00 0.00 H ATOM 9 HB THR A 26 4.960 -2.150 9.117 1.00 0.00 H ATOM 10 HG1 THR A 26 4.269 -2.815 6.959 1.00 0.00 H ATOM 11 HG23 THR A 26 3.035 -3.170 10.290 1.00 0.00 H ATOM 12 HG21 THR A 26 2.032 -2.965 8.833 1.00 0.00 H ATOM 13 HG22 THR A 26 3.425 -4.074 8.807 1.00 0.00 H ATOM 14 HN3 THR A 26 5.312 0.308 9.531 1.00 0.00 H ATOM 15 HN2 THR A 26 4.017 1.381 9.294 1.00 0.00 H ATOM 16 HN1 THR A 26 4.640 0.499 7.982 1.00 0.00 H ATOM 17 N LEU A 27 1.823 -0.518 11.078 1.00 24.30 N ATOM 18 CA LEU A 27 1.334 -0.600 12.438 1.00 23.18 C ATOM 19 C LEU A 27 0.670 -1.939 12.682 1.00 22.34 C ATOM 20 O LEU A 27 0.006 -2.479 11.807 1.00 22.20 O ATOM 21 CB LEU A 27 0.395 0.580 12.754 1.00 23.79 C ATOM 22 CG LEU A 27 1.066 1.968 12.682 1.00 23.40 C ATOM 23 CD1 LEU A 27 0.141 3.091 13.124 1.00 25.71 C ATOM 24 CD2 LEU A 27 2.378 2.056 13.467 1.00 23.22 C ATOM 25 HA LEU A 27 2.180 -0.526 13.121 1.00 0.00 H ATOM 26 HB2 LEU A 27 -0.428 0.562 12.039 1.00 0.00 H ATOM 27 HB3 LEU A 27 0.003 0.443 13.762 1.00 0.00 H ATOM 28 HG LEU A 27 1.298 2.097 11.625 1.00 0.00 H ATOM 29 HD21 LEU A 27 2.186 1.841 14.518 1.00 0.00 H ATOM 30 HD22 LEU A 27 3.087 1.330 13.070 1.00 0.00 H ATOM 31 HD23 LEU A 27 2.791 3.060 13.370 1.00 0.00 H ATOM 32 HD11 LEU A 27 -0.738 3.111 12.480 1.00 0.00 H ATOM 33 HD12 LEU A 27 -0.167 2.922 14.156 1.00 0.00 H ATOM 34 HD13 LEU A 27 0.667 4.043 13.052 1.00 0.00 H ATOM 35 H LEU A 27 1.163 -0.274 10.313 1.00 0.00 H ATOM 36 N VAL A 28 0.900 -2.480 13.875 1.00 21.69 N ATOM 37 CA VAL A 28 0.407 -3.796 14.283 1.00 20.26 C ATOM 38 C VAL A 28 -0.275 -3.550 15.583 1.00 20.29 C ATOM 39 O VAL A 28 0.055 -2.619 16.292 1.00 20.88 O ATOM 40 CB VAL A 28 1.544 -4.889 14.552 1.00 19.69 C ATOM 41 CG1 VAL A 28 2.310 -5.258 13.238 1.00 19.40 C ATOM 42 CG2 VAL A 28 2.500 -4.483 15.702 1.00 17.83 C ATOM 43 HA VAL A 28 -0.213 -4.197 13.481 1.00 0.00 H ATOM 44 HB VAL A 28 1.039 -5.794 14.891 1.00 0.00 H ATOM 45 HG11 VAL A 28 1.607 -5.664 12.511 1.00 0.00 H ATOM 46 HG12 VAL A 28 2.781 -4.364 12.830 1.00 0.00 H ATOM 47 HG13 VAL A 28 3.074 -6.003 13.461 1.00 0.00 H ATOM 48 HG21 VAL A 28 2.991 -3.543 15.450 1.00 0.00 H ATOM 49 HG22 VAL A 28 1.928 -4.360 16.622 1.00 0.00 H ATOM 50 HG23 VAL A 28 3.251 -5.261 15.840 1.00 0.00 H ATOM 51 H VAL A 28 1.464 -1.935 14.559 1.00 0.00 H ATOM 52 N ARG A 29 -1.173 -4.449 15.924 1.00 20.25 N ATOM 53 CA ARG A 29 -1.984 -4.270 17.075 1.00 20.18 C ATOM 54 C ARG A 29 -1.836 -5.450 18.024 1.00 19.65 C ATOM 55 O ARG A 29 -2.329 -6.546 17.743 1.00 19.57 O ATOM 56 CB ARG A 29 -3.440 -4.099 16.655 1.00 21.01 C ATOM 57 CG ARG A 29 -4.348 -3.881 17.850 1.00 21.97 C ATOM 58 CD ARG A 29 -5.773 -3.697 17.426 1.00 26.51 C ATOM 59 NE ARG A 29 -5.914 -2.802 16.279 1.00 28.15 N ATOM 60 CZ ARG A 29 -6.243 -1.521 16.371 1.00 31.01 C ATOM 61 NH1 ARG A 29 -6.450 -0.954 17.569 1.00 30.82 N ATOM 62 NH2 ARG A 29 -6.357 -0.802 15.262 1.00 30.70 N ATOM 63 HA ARG A 29 -1.659 -3.372 17.601 1.00 0.00 H ATOM 64 HB2 ARG A 29 -3.517 -3.238 15.991 1.00 0.00 H ATOM 65 HB3 ARG A 29 -3.762 -4.995 16.125 1.00 0.00 H ATOM 66 HG2 ARG A 29 -4.282 -4.747 18.509 1.00 0.00 H ATOM 67 HG3 ARG A 29 -4.020 -2.992 18.388 1.00 0.00 H ATOM 68 HD2 ARG A 29 -6.334 -3.281 18.263 1.00 0.00 H ATOM 69 HD3 ARG A 29 -6.186 -4.670 17.161 1.00 0.00 H ATOM 70 HE ARG A 29 -5.746 -3.195 15.331 1.00 0.00 H ATOM 71 HH12 ARG A 29 -6.708 0.052 17.631 1.00 0.00 H ATOM 72 HH11 ARG A 29 -6.353 -1.520 18.436 1.00 0.00 H ATOM 73 HH22 ARG A 29 -6.614 0.204 15.319 1.00 0.00 H ATOM 74 HH21 ARG A 29 -6.189 -1.244 14.336 1.00 0.00 H ATOM 75 H ARG A 29 -1.290 -5.303 15.342 1.00 0.00 H ATOM 76 N PRO A 30 -1.184 -5.211 19.173 1.00 18.53 N ATOM 77 CA PRO A 30 -0.939 -6.351 20.065 1.00 18.67 C ATOM 78 C PRO A 30 -2.231 -6.881 20.644 1.00 17.25 C ATOM 79 O PRO A 30 -3.134 -6.103 20.856 1.00 18.54 O ATOM 80 CB PRO A 30 -0.075 -5.751 21.177 1.00 17.83 C ATOM 81 CG PRO A 30 0.682 -4.643 20.470 1.00 17.00 C ATOM 82 CD PRO A 30 -0.376 -4.039 19.552 1.00 19.27 C ATOM 83 HA PRO A 30 -0.470 -7.190 19.550 1.00 0.00 H ATOM 84 HD3 PRO A 30 -0.979 -3.300 20.080 1.00 0.00 H ATOM 85 HD2 PRO A 30 0.080 -3.576 18.677 1.00 0.00 H ATOM 86 HG3 PRO A 30 1.518 -5.043 19.896 1.00 0.00 H ATOM 87 HG2 PRO A 30 1.052 -3.905 21.181 1.00 0.00 H ATOM 88 HB2 PRO A 30 -0.694 -5.351 21.980 1.00 0.00 H ATOM 89 HB3 PRO A 30 0.610 -6.495 21.584 1.00 0.00 H ATOM 90 N LYS A 31 -2.272 -8.186 20.886 1.00 16.86 N ATOM 91 CA LYS A 31 -3.312 -8.885 21.635 1.00 17.65 C ATOM 92 C LYS A 31 -3.218 -8.462 23.115 1.00 17.83 C ATOM 93 O LYS A 31 -2.259 -7.829 23.493 1.00 16.31 O ATOM 94 CB LYS A 31 -3.145 -10.394 21.436 1.00 17.44 C ATOM 95 CG LYS A 31 -3.682 -10.910 20.069 1.00 19.35 C ATOM 96 CD LYS A 31 -3.410 -12.395 19.916 1.00 21.97 C ATOM 97 CE LYS A 31 -4.072 -13.033 18.696 1.00 27.49 C ATOM 98 NZ LYS A 31 -3.667 -14.482 18.700 1.00 26.51 N ATOM 99 HA LYS A 31 -4.308 -8.623 21.278 1.00 0.00 H ATOM 100 HB2 LYS A 31 -2.084 -10.634 21.502 1.00 0.00 H ATOM 101 HB3 LYS A 31 -3.683 -10.908 22.233 1.00 0.00 H ATOM 102 HG2 LYS A 31 -4.757 -10.735 20.016 1.00 0.00 H ATOM 103 HG3 LYS A 31 -3.187 -10.370 19.262 1.00 0.00 H ATOM 104 HD2 LYS A 31 -2.333 -12.538 19.834 1.00 0.00 H ATOM 105 HD3 LYS A 31 -3.776 -12.903 20.808 1.00 0.00 H ATOM 106 HE2 LYS A 31 -3.727 -12.548 17.783 1.00 0.00 H ATOM 107 HE3 LYS A 31 -5.156 -12.944 18.766 1.00 0.00 H ATOM 108 HZ1 LYS A 31 -2.631 -14.551 18.640 1.00 0.00 H ATOM 109 HZ2 LYS A 31 -3.996 -14.930 19.579 1.00 0.00 H ATOM 110 HZ3 LYS A 31 -4.095 -14.963 17.883 1.00 0.00 H ATOM 111 H LYS A 31 -1.493 -8.762 20.508 1.00 0.00 H ATOM 112 N PRO A 32 -4.270 -8.708 23.930 1.00 19.40 N ATOM 113 CA PRO A 32 -4.229 -8.177 25.306 1.00 19.70 C ATOM 114 C PRO A 32 -2.966 -8.411 26.085 1.00 19.73 C ATOM 115 O PRO A 32 -2.425 -7.462 26.640 1.00 19.65 O ATOM 116 CB PRO A 32 -5.394 -8.888 25.984 1.00 19.91 C ATOM 117 CG PRO A 32 -6.408 -8.890 24.947 1.00 20.87 C ATOM 118 CD PRO A 32 -5.641 -9.169 23.614 1.00 20.20 C ATOM 119 HA PRO A 32 -4.283 -7.089 25.272 1.00 0.00 H ATOM 120 HD3 PRO A 32 -5.653 -10.231 23.367 1.00 0.00 H ATOM 121 HD2 PRO A 32 -6.067 -8.600 22.788 1.00 0.00 H ATOM 122 HG3 PRO A 32 -6.910 -7.924 24.903 1.00 0.00 H ATOM 123 HG2 PRO A 32 -7.144 -9.672 25.135 1.00 0.00 H ATOM 124 HB2 PRO A 32 -5.122 -9.904 26.272 1.00 0.00 H ATOM 125 HB3 PRO A 32 -5.731 -8.341 26.864 1.00 0.00 H ATOM 126 N LEU A 33 -2.533 -9.665 26.140 1.00 20.82 N ATOM 127 CA LEU A 33 -1.368 -10.074 26.932 1.00 20.63 C ATOM 128 C LEU A 33 -0.103 -9.313 26.565 1.00 20.27 C ATOM 129 O LEU A 33 0.605 -8.825 27.449 1.00 19.93 O ATOM 130 CB LEU A 33 -1.131 -11.596 26.870 1.00 20.00 C ATOM 131 CG LEU A 33 -1.922 -12.442 27.899 1.00 21.65 C ATOM 132 CD1 LEU A 33 -1.557 -13.924 27.769 1.00 18.37 C ATOM 133 CD2 LEU A 33 -1.764 -11.977 29.350 1.00 21.46 C ATOM 134 HA LEU A 33 -1.608 -9.813 27.963 1.00 0.00 H ATOM 135 HB2 LEU A 33 -1.407 -11.938 25.872 1.00 0.00 H ATOM 136 HB3 LEU A 33 -0.069 -11.777 27.034 1.00 0.00 H ATOM 137 HG LEU A 33 -2.974 -12.296 27.654 1.00 0.00 H ATOM 138 HD21 LEU A 33 -0.713 -12.028 29.634 1.00 0.00 H ATOM 139 HD22 LEU A 33 -2.117 -10.950 29.441 1.00 0.00 H ATOM 140 HD23 LEU A 33 -2.350 -12.623 30.003 1.00 0.00 H ATOM 141 HD11 LEU A 33 -1.800 -14.270 26.764 1.00 0.00 H ATOM 142 HD12 LEU A 33 -0.490 -14.051 27.951 1.00 0.00 H ATOM 143 HD13 LEU A 33 -2.123 -14.502 28.500 1.00 0.00 H ATOM 144 H LEU A 33 -3.043 -10.390 25.597 1.00 0.00 H ATOM 145 N LEU A 34 0.179 -9.210 25.267 1.00 20.20 N ATOM 146 CA LEU A 34 1.364 -8.472 24.828 1.00 19.02 C ATOM 147 C LEU A 34 1.186 -7.000 25.145 1.00 19.52 C ATOM 148 O LEU A 34 2.157 -6.321 25.527 1.00 17.65 O ATOM 149 CB LEU A 34 1.662 -8.668 23.322 1.00 19.25 C ATOM 150 CG LEU A 34 2.851 -7.929 22.684 1.00 21.32 C ATOM 151 CD1 LEU A 34 4.209 -8.265 23.287 1.00 21.43 C ATOM 152 CD2 LEU A 34 2.928 -8.141 21.167 1.00 20.41 C ATOM 153 HA LEU A 34 2.222 -8.869 25.370 1.00 0.00 H ATOM 154 HB2 LEU A 34 1.831 -9.734 23.168 1.00 0.00 H ATOM 155 HB3 LEU A 34 0.768 -8.360 22.779 1.00 0.00 H ATOM 156 HG LEU A 34 2.641 -6.883 22.907 1.00 0.00 H ATOM 157 HD21 LEU A 34 3.040 -9.204 20.955 1.00 0.00 H ATOM 158 HD22 LEU A 34 2.014 -7.771 20.703 1.00 0.00 H ATOM 159 HD23 LEU A 34 3.785 -7.598 20.769 1.00 0.00 H ATOM 160 HD11 LEU A 34 4.209 -8.007 24.346 1.00 0.00 H ATOM 161 HD12 LEU A 34 4.402 -9.332 23.172 1.00 0.00 H ATOM 162 HD13 LEU A 34 4.984 -7.696 22.773 1.00 0.00 H ATOM 163 H LEU A 34 -0.445 -9.655 24.564 1.00 0.00 H ATOM 164 N LEU A 35 -0.055 -6.507 24.997 1.00 18.99 N ATOM 165 CA LEU A 35 -0.318 -5.117 25.249 1.00 18.51 C ATOM 166 C LEU A 35 -0.018 -4.808 26.694 1.00 18.79 C ATOM 167 O LEU A 35 0.608 -3.783 26.966 1.00 18.85 O ATOM 168 CB LEU A 35 -1.749 -4.733 24.885 1.00 19.48 C ATOM 169 CG LEU A 35 -2.162 -3.269 24.936 1.00 18.99 C ATOM 170 CD1 LEU A 35 -1.413 -2.442 23.903 1.00 20.53 C ATOM 171 CD2 LEU A 35 -3.664 -3.186 24.676 1.00 21.02 C ATOM 172 HA LEU A 35 0.333 -4.519 24.611 1.00 0.00 H ATOM 173 HB2 LEU A 35 -1.922 -5.077 23.865 1.00 0.00 H ATOM 174 HB3 LEU A 35 -2.407 -5.273 25.566 1.00 0.00 H ATOM 175 HG LEU A 35 -1.917 -2.865 25.918 1.00 0.00 H ATOM 176 HD21 LEU A 35 -3.885 -3.604 23.694 1.00 0.00 H ATOM 177 HD22 LEU A 35 -4.196 -3.752 25.441 1.00 0.00 H ATOM 178 HD23 LEU A 35 -3.980 -2.143 24.708 1.00 0.00 H ATOM 179 HD11 LEU A 35 -0.342 -2.506 24.096 1.00 0.00 H ATOM 180 HD12 LEU A 35 -1.628 -2.827 22.906 1.00 0.00 H ATOM 181 HD13 LEU A 35 -1.734 -1.403 23.969 1.00 0.00 H ATOM 182 H LEU A 35 -0.829 -7.134 24.699 1.00 0.00 H ATOM 183 N LYS A 36 -0.466 -5.668 27.616 1.00 19.39 N ATOM 184 CA LYS A 36 -0.188 -5.467 29.046 1.00 18.73 C ATOM 185 C LYS A 36 1.319 -5.355 29.277 1.00 18.96 C ATOM 186 O LYS A 36 1.808 -4.474 29.996 1.00 19.31 O ATOM 187 CB LYS A 36 -0.669 -6.666 29.848 1.00 20.04 C ATOM 188 CG LYS A 36 -0.623 -6.420 31.344 1.00 20.41 C ATOM 189 CD LYS A 36 -0.815 -7.681 32.181 1.00 25.71 C ATOM 190 CE LYS A 36 -1.839 -8.658 31.578 1.00 29.36 C ATOM 191 NZ LYS A 36 -3.272 -8.169 31.526 1.00 30.20 N ATOM 192 HA LYS A 36 -0.701 -4.558 29.360 1.00 0.00 H ATOM 193 HB2 LYS A 36 -1.697 -6.889 29.562 1.00 0.00 H ATOM 194 HB3 LYS A 36 -0.034 -7.521 29.614 1.00 0.00 H ATOM 195 HG2 LYS A 36 0.346 -5.987 31.592 1.00 0.00 H ATOM 196 HG3 LYS A 36 -1.412 -5.713 31.601 1.00 0.00 H ATOM 197 HD2 LYS A 36 0.144 -8.192 32.264 1.00 0.00 H ATOM 198 HD3 LYS A 36 -1.157 -7.389 33.174 1.00 0.00 H ATOM 199 HE2 LYS A 36 -1.819 -9.571 32.173 1.00 0.00 H ATOM 200 HE3 LYS A 36 -1.526 -8.883 30.558 1.00 0.00 H ATOM 201 HZ1 LYS A 36 -3.602 -7.963 32.490 1.00 0.00 H ATOM 202 HZ2 LYS A 36 -3.321 -7.305 30.949 1.00 0.00 H ATOM 203 HZ3 LYS A 36 -3.873 -8.905 31.103 1.00 0.00 H ATOM 204 H LYS A 36 -1.021 -6.494 27.316 1.00 0.00 H ATOM 205 N LEU A 37 2.053 -6.281 28.694 1.00 16.14 N ATOM 206 CA LEU A 37 3.515 -6.250 28.837 1.00 17.18 C ATOM 207 C LEU A 37 4.116 -4.887 28.404 1.00 17.07 C ATOM 208 O LEU A 37 4.884 -4.254 29.145 1.00 16.84 O ATOM 209 CB LEU A 37 4.108 -7.423 28.046 1.00 16.31 C ATOM 210 CG LEU A 37 5.602 -7.639 28.217 1.00 15.97 C ATOM 211 CD1 LEU A 37 5.864 -9.125 28.109 1.00 18.82 C ATOM 212 CD2 LEU A 37 6.385 -6.840 27.171 1.00 17.03 C ATOM 213 HA LEU A 37 3.776 -6.360 29.890 1.00 0.00 H ATOM 214 HB2 LEU A 37 3.599 -8.333 28.362 1.00 0.00 H ATOM 215 HB3 LEU A 37 3.913 -7.248 26.988 1.00 0.00 H ATOM 216 HG LEU A 37 5.938 -7.281 29.190 1.00 0.00 H ATOM 217 HD21 LEU A 37 6.092 -7.166 26.173 1.00 0.00 H ATOM 218 HD22 LEU A 37 6.165 -5.779 27.287 1.00 0.00 H ATOM 219 HD23 LEU A 37 7.453 -7.009 27.311 1.00 0.00 H ATOM 220 HD11 LEU A 37 5.312 -9.648 28.890 1.00 0.00 H ATOM 221 HD12 LEU A 37 5.537 -9.480 27.132 1.00 0.00 H ATOM 222 HD13 LEU A 37 6.931 -9.314 28.228 1.00 0.00 H ATOM 223 H LEU A 37 1.599 -7.031 28.135 1.00 0.00 H ATOM 224 N LEU A 38 3.777 -4.450 27.194 1.00 17.52 N ATOM 225 CA LEU A 38 4.345 -3.261 26.615 1.00 17.45 C ATOM 226 C LEU A 38 4.065 -2.032 27.443 1.00 19.20 C ATOM 227 O LEU A 38 4.962 -1.212 27.660 1.00 19.25 O ATOM 228 CB LEU A 38 3.794 -3.042 25.210 1.00 17.05 C ATOM 229 CG LEU A 38 4.227 -3.975 24.071 1.00 17.04 C ATOM 230 CD1 LEU A 38 3.629 -3.446 22.763 1.00 15.15 C ATOM 231 CD2 LEU A 38 5.710 -4.160 23.962 1.00 16.62 C ATOM 232 HA LEU A 38 5.424 -3.413 26.581 1.00 0.00 H ATOM 233 HB2 LEU A 38 2.709 -3.112 25.281 1.00 0.00 H ATOM 234 HB3 LEU A 38 4.073 -2.031 24.914 1.00 0.00 H ATOM 235 HG LEU A 38 3.846 -4.972 24.292 1.00 0.00 H ATOM 236 HD21 LEU A 38 6.183 -3.194 23.784 1.00 0.00 H ATOM 237 HD22 LEU A 38 6.091 -4.587 24.890 1.00 0.00 H ATOM 238 HD23 LEU A 38 5.931 -4.833 23.133 1.00 0.00 H ATOM 239 HD11 LEU A 38 2.542 -3.431 22.842 1.00 0.00 H ATOM 240 HD12 LEU A 38 3.996 -2.436 22.580 1.00 0.00 H ATOM 241 HD13 LEU A 38 3.926 -4.096 21.940 1.00 0.00 H ATOM 242 H LEU A 38 3.075 -4.988 26.646 1.00 0.00 H ATOM 243 N LYS A 39 2.815 -1.897 27.902 1.00 20.73 N ATOM 244 CA LYS A 39 2.415 -0.779 28.727 1.00 22.75 C ATOM 245 C LYS A 39 3.118 -0.767 30.093 1.00 24.20 C ATOM 246 O LYS A 39 3.437 0.303 30.610 1.00 25.13 O ATOM 247 CB LYS A 39 0.900 -0.796 28.915 1.00 23.01 C ATOM 248 CG LYS A 39 0.149 -0.166 27.736 1.00 25.29 C ATOM 249 CD LYS A 39 -1.358 -0.030 28.046 1.00 30.57 C ATOM 250 CE LYS A 39 -2.156 0.551 26.877 1.00 33.95 C ATOM 251 NZ LYS A 39 -3.659 0.414 27.066 1.00 36.58 N ATOM 252 HA LYS A 39 2.718 0.131 28.209 1.00 0.00 H ATOM 253 HB2 LYS A 39 0.574 -1.830 29.024 1.00 0.00 H ATOM 254 HB3 LYS A 39 0.655 -0.242 29.821 1.00 0.00 H ATOM 255 HG2 LYS A 39 0.563 0.823 27.537 1.00 0.00 H ATOM 256 HG3 LYS A 39 0.276 -0.795 26.855 1.00 0.00 H ATOM 257 HD2 LYS A 39 -1.755 -1.017 28.282 1.00 0.00 H ATOM 258 HD3 LYS A 39 -1.478 0.625 28.909 1.00 0.00 H ATOM 259 HE2 LYS A 39 -1.870 0.027 25.965 1.00 0.00 H ATOM 260 HE3 LYS A 39 -1.912 1.609 26.779 1.00 0.00 H ATOM 261 HZ1 LYS A 39 -3.906 -0.593 27.152 1.00 0.00 H ATOM 262 HZ2 LYS A 39 -3.946 0.918 27.930 1.00 0.00 H ATOM 263 HZ3 LYS A 39 -4.149 0.824 26.245 1.00 0.00 H ATOM 264 H LYS A 39 2.108 -2.620 27.657 1.00 0.00 H ATOM 265 N SER A 40 3.355 -1.952 30.664 1.00 24.05 N ATOM 266 CA SER A 40 3.988 -2.056 31.975 1.00 23.87 C ATOM 267 C SER A 40 5.414 -1.454 31.909 1.00 23.72 C ATOM 268 O SER A 40 5.997 -1.121 32.943 1.00 22.28 O ATOM 269 CB SER A 40 3.972 -3.499 32.452 1.00 23.34 C ATOM 270 OG SER A 40 4.968 -4.255 31.784 1.00 23.16 O ATOM 271 HA SER A 40 3.428 -1.480 32.712 1.00 0.00 H ATOM 272 HB2 SER A 40 2.994 -3.934 32.247 1.00 0.00 H ATOM 273 HB3 SER A 40 4.162 -3.524 33.525 1.00 0.00 H ATOM 274 HG SER A 40 4.796 -4.236 30.809 1.00 0.00 H ATOM 275 H SER A 40 3.082 -2.821 30.162 1.00 0.00 H ATOM 276 N VAL A 41 5.925 -1.291 30.685 1.00 23.37 N ATOM 277 CA VAL A 41 7.155 -0.532 30.414 1.00 25.21 C ATOM 278 C VAL A 41 7.009 0.840 29.644 1.00 26.43 C ATOM 279 O VAL A 41 7.943 1.301 28.968 1.00 25.88 O ATOM 280 CB VAL A 41 8.218 -1.406 29.704 1.00 24.95 C ATOM 281 CG1 VAL A 41 8.758 -2.491 30.648 1.00 25.64 C ATOM 282 CG2 VAL A 41 7.684 -1.977 28.351 1.00 26.91 C ATOM 283 HA VAL A 41 7.475 -0.252 31.418 1.00 0.00 H ATOM 284 HB VAL A 41 9.065 -0.771 29.445 1.00 0.00 H ATOM 285 HG11 VAL A 41 9.216 -2.019 31.517 1.00 0.00 H ATOM 286 HG12 VAL A 41 7.937 -3.131 30.971 1.00 0.00 H ATOM 287 HG13 VAL A 41 9.503 -3.090 30.123 1.00 0.00 H ATOM 288 HG21 VAL A 41 6.803 -2.591 28.540 1.00 0.00 H ATOM 289 HG22 VAL A 41 7.419 -1.152 27.690 1.00 0.00 H ATOM 290 HG23 VAL A 41 8.459 -2.585 27.883 1.00 0.00 H ATOM 291 H VAL A 41 5.426 -1.724 29.882 1.00 0.00 H ATOM 292 N GLY A 42 5.861 1.505 29.736 1.00 27.96 N ATOM 293 CA GLY A 42 5.827 2.887 29.248 1.00 29.68 C ATOM 294 C GLY A 42 5.091 3.196 27.952 1.00 31.51 C ATOM 295 O GLY A 42 4.713 4.367 27.736 1.00 32.19 O ATOM 296 HA3 GLY A 42 6.861 3.203 29.111 1.00 0.00 H ATOM 297 HA2 GLY A 42 5.365 3.490 30.029 1.00 0.00 H ATOM 298 H GLY A 42 5.014 1.059 30.142 1.00 0.00 H ATOM 299 N ALA A 43 4.886 2.198 27.087 1.00 31.52 N ATOM 300 CA ALA A 43 4.056 2.378 25.874 1.00 32.13 C ATOM 301 C ALA A 43 2.630 2.848 26.233 1.00 32.59 C ATOM 302 O ALA A 43 2.087 2.435 27.242 1.00 32.41 O ATOM 303 CB ALA A 43 3.984 1.078 25.081 1.00 31.39 C ATOM 304 HA ALA A 43 4.528 3.148 25.263 1.00 0.00 H ATOM 305 HB1 ALA A 43 4.989 0.780 24.783 1.00 0.00 H ATOM 306 HB2 ALA A 43 3.542 0.299 25.702 1.00 0.00 H ATOM 307 HB3 ALA A 43 3.370 1.229 24.193 1.00 0.00 H ATOM 308 H ALA A 43 5.321 1.271 27.271 1.00 0.00 H ATOM 309 N GLN A 44 2.010 3.698 25.424 1.00 34.22 N ATOM 310 CA GLN A 44 0.615 4.078 25.769 1.00 35.78 C ATOM 311 C GLN A 44 -0.492 3.824 24.734 1.00 35.33 C ATOM 312 O GLN A 44 -1.618 3.419 25.122 1.00 36.00 O ATOM 313 CB GLN A 44 0.515 5.488 26.381 1.00 36.60 C ATOM 314 CG GLN A 44 -0.722 5.675 27.291 1.00 39.30 C ATOM 315 CD GLN A 44 -0.957 4.477 28.223 1.00 42.96 C ATOM 316 OE1 GLN A 44 -0.087 4.124 29.029 1.00 44.17 O ATOM 317 NE2 GLN A 44 -2.137 3.846 28.111 1.00 42.93 N ATOM 318 HA GLN A 44 0.385 3.335 26.533 1.00 0.00 H ATOM 319 HB2 GLN A 44 1.411 5.673 26.973 1.00 0.00 H ATOM 320 HB3 GLN A 44 0.461 6.214 25.570 1.00 0.00 H ATOM 321 HG2 GLN A 44 -0.576 6.568 27.899 1.00 0.00 H ATOM 322 HG3 GLN A 44 -1.602 5.806 26.661 1.00 0.00 H ATOM 323 HE22 GLN A 44 -2.840 4.177 27.420 1.00 0.00 H ATOM 324 HE21 GLN A 44 -2.348 3.027 28.716 1.00 0.00 H ATOM 325 H GLN A 44 2.482 4.083 24.581 1.00 0.00 H ATOM 326 N LYS A 45 -0.186 4.049 23.453 1.00 33.97 N ATOM 327 CA LYS A 45 -1.086 3.653 22.344 1.00 33.19 C ATOM 328 C LYS A 45 -1.557 2.184 22.376 1.00 31.94 C ATOM 329 O LYS A 45 -1.138 1.382 23.211 1.00 32.12 O ATOM 330 CB LYS A 45 -0.424 3.940 20.984 1.00 33.09 C ATOM 331 CG LYS A 45 -0.243 5.398 20.644 1.00 34.61 C ATOM 332 CD LYS A 45 0.661 5.586 19.415 1.00 35.80 C ATOM 333 CE LYS A 45 1.040 7.072 19.257 1.00 38.33 C ATOM 334 NZ LYS A 45 1.604 7.514 17.929 1.00 37.13 N ATOM 335 HA LYS A 45 -1.980 4.261 22.484 1.00 0.00 H ATOM 336 HB2 LYS A 45 0.560 3.470 20.983 1.00 0.00 H ATOM 337 HB3 LYS A 45 -1.042 3.488 20.208 1.00 0.00 H ATOM 338 HG2 LYS A 45 -1.219 5.836 20.436 1.00 0.00 H ATOM 339 HG3 LYS A 45 0.208 5.907 21.496 1.00 0.00 H ATOM 340 HD2 LYS A 45 1.568 4.994 19.540 1.00 0.00 H ATOM 341 HD3 LYS A 45 0.131 5.252 18.523 1.00 0.00 H ATOM 342 HE2 LYS A 45 1.784 7.301 20.020 1.00 0.00 H ATOM 343 HE3 LYS A 45 0.140 7.659 19.441 1.00 0.00 H ATOM 344 HZ1 LYS A 45 2.478 6.986 17.732 1.00 0.00 H ATOM 345 HZ2 LYS A 45 0.908 7.327 17.179 1.00 0.00 H ATOM 346 HZ3 LYS A 45 1.813 8.532 17.964 1.00 0.00 H ATOM 347 H LYS A 45 0.714 4.518 23.226 1.00 0.00 H ATOM 348 N ASP A 46 -2.438 1.838 21.446 1.00 30.97 N ATOM 349 CA ASP A 46 -2.822 0.453 21.238 1.00 28.84 C ATOM 350 C ASP A 46 -2.236 -0.149 19.943 1.00 27.23 C ATOM 351 O ASP A 46 -2.403 -1.341 19.708 1.00 27.50 O ATOM 352 CB ASP A 46 -4.362 0.254 21.335 1.00 29.56 C ATOM 353 CG ASP A 46 -5.170 1.170 20.385 1.00 31.59 C ATOM 354 OD1 ASP A 46 -4.569 2.001 19.656 1.00 32.52 O ATOM 355 OD2 ASP A 46 -6.437 1.050 20.366 1.00 35.68 O ATOM 356 HA ASP A 46 -2.375 -0.111 22.057 1.00 0.00 H ATOM 357 HB2 ASP A 46 -4.591 -0.783 21.090 1.00 0.00 H ATOM 358 HB3 ASP A 46 -4.672 0.461 22.359 1.00 0.00 H ATOM 359 H ASP A 46 -2.864 2.577 20.851 1.00 0.00 H ATOM 360 N THR A 47 -1.574 0.655 19.100 1.00 24.56 N ATOM 361 CA THR A 47 -0.875 0.140 17.906 1.00 23.37 C ATOM 362 C THR A 47 0.602 0.591 17.824 1.00 21.53 C ATOM 363 O THR A 47 0.917 1.694 18.244 1.00 20.67 O ATOM 364 CB THR A 47 -1.581 0.562 16.588 1.00 23.82 C ATOM 365 OG1 THR A 47 -1.684 1.990 16.544 1.00 24.28 O ATOM 366 CG2 THR A 47 -2.966 -0.051 16.502 1.00 23.84 C ATOM 367 HA THR A 47 -0.907 -0.944 18.016 1.00 0.00 H ATOM 368 HB THR A 47 -0.992 0.205 15.743 1.00 0.00 H ATOM 369 HG1 THR A 47 -0.777 2.386 16.577 1.00 0.00 H ATOM 370 HG23 THR A 47 -2.884 -1.137 16.536 1.00 0.00 H ATOM 371 HG21 THR A 47 -3.568 0.295 17.342 1.00 0.00 H ATOM 372 HG22 THR A 47 -3.438 0.250 15.567 1.00 0.00 H ATOM 373 H THR A 47 -1.552 1.677 19.293 1.00 0.00 H ATOM 374 N TYR A 48 1.479 -0.250 17.266 1.00 20.64 N ATOM 375 CA TYR A 48 2.909 0.020 17.236 1.00 18.84 C ATOM 376 C TYR A 48 3.574 -0.403 15.933 1.00 18.40 C ATOM 377 O TYR A 48 3.041 -1.178 15.159 1.00 17.70 O ATOM 378 CB TYR A 48 3.588 -0.669 18.423 1.00 19.28 C ATOM 379 CG TYR A 48 2.977 -0.316 19.775 1.00 20.67 C ATOM 380 CD1 TYR A 48 1.904 -1.032 20.287 1.00 23.04 C ATOM 381 CD2 TYR A 48 3.457 0.743 20.512 1.00 23.05 C ATOM 382 CE1 TYR A 48 1.310 -0.693 21.520 1.00 23.67 C ATOM 383 CE2 TYR A 48 2.874 1.100 21.740 1.00 24.56 C ATOM 384 CZ TYR A 48 1.801 0.360 22.237 1.00 22.26 C ATOM 385 OH TYR A 48 1.244 0.716 23.443 1.00 23.73 O ATOM 386 HA TYR A 48 3.030 1.101 17.307 1.00 0.00 H ATOM 387 HB3 TYR A 48 4.638 -0.378 18.434 1.00 0.00 H ATOM 388 HB2 TYR A 48 3.513 -1.747 18.283 1.00 0.00 H ATOM 389 HD2 TYR A 48 4.305 1.315 20.136 1.00 0.00 H ATOM 390 HE2 TYR A 48 3.259 1.951 22.302 1.00 0.00 H ATOM 391 HE1 TYR A 48 0.465 -1.268 21.898 1.00 0.00 H ATOM 392 HD1 TYR A 48 1.511 -1.877 19.722 1.00 0.00 H ATOM 393 HH TYR A 48 0.901 1.643 23.386 1.00 0.00 H ATOM 394 H TYR A 48 1.126 -1.130 16.838 1.00 0.00 H ATOM 395 N THR A 49 4.754 0.136 15.693 1.00 17.37 N ATOM 396 CA THR A 49 5.620 -0.420 14.677 1.00 17.34 C ATOM 397 C THR A 49 6.336 -1.647 15.279 1.00 17.36 C ATOM 398 O THR A 49 6.412 -1.817 16.509 1.00 15.48 O ATOM 399 CB THR A 49 6.628 0.634 14.187 1.00 17.58 C ATOM 400 OG1 THR A 49 7.494 1.004 15.266 1.00 17.23 O ATOM 401 CG2 THR A 49 5.877 1.876 13.699 1.00 16.16 C ATOM 402 HA THR A 49 5.037 -0.727 13.809 1.00 0.00 H ATOM 403 HB THR A 49 7.215 0.217 13.369 1.00 0.00 H ATOM 404 HG1 THR A 49 8.142 1.682 14.950 1.00 0.00 H ATOM 405 HG23 THR A 49 5.216 1.600 12.877 1.00 0.00 H ATOM 406 HG21 THR A 49 5.288 2.288 14.518 1.00 0.00 H ATOM 407 HG22 THR A 49 6.594 2.621 13.355 1.00 0.00 H ATOM 408 H THR A 49 5.063 0.966 16.238 1.00 0.00 H ATOM 409 N MET A 50 6.875 -2.500 14.423 1.00 18.56 N ATOM 410 CA MET A 50 7.625 -3.645 14.920 1.00 19.92 C ATOM 411 C MET A 50 8.865 -3.225 15.711 1.00 17.89 C ATOM 412 O MET A 50 9.307 -3.926 16.655 1.00 16.11 O ATOM 413 CB MET A 50 8.000 -4.563 13.772 1.00 21.09 C ATOM 414 CG MET A 50 7.069 -5.708 13.647 1.00 26.99 C ATOM 415 SD MET A 50 7.156 -6.913 14.988 1.00 30.85 S ATOM 416 CE MET A 50 6.707 -8.340 14.023 1.00 30.11 C ATOM 417 HA MET A 50 6.979 -4.187 15.611 1.00 0.00 H ATOM 418 HB2 MET A 50 7.981 -3.991 12.844 1.00 0.00 H ATOM 419 HB3 MET A 50 9.007 -4.945 13.942 1.00 0.00 H ATOM 420 HG2 MET A 50 7.291 -6.224 12.713 1.00 0.00 H ATOM 421 HG3 MET A 50 6.053 -5.315 13.610 1.00 0.00 H ATOM 422 HE1 MET A 50 5.716 -8.190 13.594 1.00 0.00 H ATOM 423 HE2 MET A 50 7.434 -8.479 13.223 1.00 0.00 H ATOM 424 HE3 MET A 50 6.697 -9.222 14.664 1.00 0.00 H ATOM 425 H MET A 50 6.763 -2.353 13.399 1.00 0.00 H ATOM 426 N LYS A 51 9.404 -2.056 15.359 1.00 17.23 N ATOM 427 CA LYS A 51 10.617 -1.566 16.014 1.00 16.00 C ATOM 428 C LYS A 51 10.218 -1.221 17.459 1.00 16.45 C ATOM 429 O LYS A 51 10.992 -1.403 18.403 1.00 15.83 O ATOM 430 CB LYS A 51 11.139 -0.349 15.260 1.00 17.46 C ATOM 431 CG LYS A 51 12.576 0.109 15.546 1.00 17.39 C ATOM 432 CD LYS A 51 12.930 1.424 14.789 1.00 20.33 C ATOM 433 CE LYS A 51 14.438 1.734 14.887 1.00 24.67 C ATOM 434 NZ LYS A 51 14.763 3.113 14.471 1.00 25.81 N ATOM 435 HA LYS A 51 11.418 -2.305 16.017 1.00 0.00 H ATOM 436 HB2 LYS A 51 11.075 -0.574 14.195 1.00 0.00 H ATOM 437 HB3 LYS A 51 10.479 0.486 15.494 1.00 0.00 H ATOM 438 HG2 LYS A 51 12.685 0.279 16.617 1.00 0.00 H ATOM 439 HG3 LYS A 51 13.265 -0.675 15.232 1.00 0.00 H ATOM 440 HD2 LYS A 51 12.656 1.315 13.740 1.00 0.00 H ATOM 441 HD3 LYS A 51 12.368 2.249 15.226 1.00 0.00 H ATOM 442 HE2 LYS A 51 14.980 1.039 14.246 1.00 0.00 H ATOM 443 HE3 LYS A 51 14.756 1.597 15.920 1.00 0.00 H ATOM 444 HZ1 LYS A 51 14.471 3.254 13.483 1.00 0.00 H ATOM 445 HZ2 LYS A 51 14.258 3.786 15.082 1.00 0.00 H ATOM 446 HZ3 LYS A 51 15.788 3.267 14.556 1.00 0.00 H ATOM 447 H LYS A 51 8.957 -1.488 14.611 1.00 0.00 H ATOM 448 N GLU A 52 8.975 -0.776 17.629 1.00 15.02 N ATOM 449 CA GLU A 52 8.526 -0.227 18.920 1.00 14.42 C ATOM 450 C GLU A 52 8.224 -1.365 19.829 1.00 15.20 C ATOM 451 O GLU A 52 8.601 -1.325 21.008 1.00 15.47 O ATOM 452 CB GLU A 52 7.312 0.692 18.736 1.00 13.99 C ATOM 453 CG GLU A 52 7.677 2.142 18.366 1.00 15.25 C ATOM 454 CD GLU A 52 6.536 2.892 17.717 1.00 16.62 C ATOM 455 OE1 GLU A 52 5.372 2.377 17.785 1.00 13.96 O ATOM 456 OE2 GLU A 52 6.780 4.006 17.157 1.00 14.33 O ATOM 457 HA GLU A 52 9.312 0.387 19.359 1.00 0.00 H ATOM 458 HB2 GLU A 52 6.688 0.282 17.942 1.00 0.00 H ATOM 459 HB3 GLU A 52 6.748 0.707 19.669 1.00 0.00 H ATOM 460 HG2 GLU A 52 7.968 2.670 19.274 1.00 0.00 H ATOM 461 HG3 GLU A 52 8.519 2.123 17.674 1.00 0.00 H ATOM 462 H GLU A 52 8.307 -0.817 16.833 1.00 0.00 H ATOM 463 N VAL A 53 7.576 -2.414 19.274 1.00 15.57 N ATOM 464 CA VAL A 53 7.314 -3.660 20.003 1.00 15.66 C ATOM 465 C VAL A 53 8.655 -4.211 20.500 1.00 15.69 C ATOM 466 O VAL A 53 8.818 -4.523 21.706 1.00 15.55 O ATOM 467 CB VAL A 53 6.619 -4.722 19.118 1.00 14.73 C ATOM 468 CG1 VAL A 53 6.586 -6.078 19.799 1.00 16.15 C ATOM 469 CG2 VAL A 53 5.216 -4.259 18.721 1.00 14.89 C ATOM 470 HA VAL A 53 6.641 -3.441 20.832 1.00 0.00 H ATOM 471 HB VAL A 53 7.205 -4.836 18.206 1.00 0.00 H ATOM 472 HG11 VAL A 53 7.606 -6.408 19.999 1.00 0.00 H ATOM 473 HG12 VAL A 53 6.038 -5.998 20.738 1.00 0.00 H ATOM 474 HG13 VAL A 53 6.091 -6.798 19.148 1.00 0.00 H ATOM 475 HG21 VAL A 53 4.619 -4.102 19.619 1.00 0.00 H ATOM 476 HG22 VAL A 53 5.287 -3.326 18.163 1.00 0.00 H ATOM 477 HG23 VAL A 53 4.746 -5.021 18.099 1.00 0.00 H ATOM 478 H VAL A 53 7.250 -2.334 18.290 1.00 0.00 H ATOM 479 N LEU A 54 9.631 -4.306 19.604 1.00 15.09 N ATOM 480 CA LEU A 54 10.920 -4.885 20.029 1.00 15.77 C ATOM 481 C LEU A 54 11.621 -4.112 21.131 1.00 15.28 C ATOM 482 O LEU A 54 12.180 -4.722 22.063 1.00 16.87 O ATOM 483 CB LEU A 54 11.839 -5.145 18.868 1.00 15.60 C ATOM 484 CG LEU A 54 11.235 -6.174 17.916 1.00 15.38 C ATOM 485 CD1 LEU A 54 12.052 -6.278 16.641 1.00 17.39 C ATOM 486 CD2 LEU A 54 11.063 -7.515 18.573 1.00 15.75 C ATOM 487 HA LEU A 54 10.657 -5.846 20.470 1.00 0.00 H ATOM 488 HB2 LEU A 54 12.005 -4.213 18.328 1.00 0.00 H ATOM 489 HB3 LEU A 54 12.791 -5.521 19.243 1.00 0.00 H ATOM 490 HG LEU A 54 10.238 -5.825 17.647 1.00 0.00 H ATOM 491 HD21 LEU A 54 12.034 -7.884 18.903 1.00 0.00 H ATOM 492 HD22 LEU A 54 10.400 -7.415 19.432 1.00 0.00 H ATOM 493 HD23 LEU A 54 10.630 -8.215 17.859 1.00 0.00 H ATOM 494 HD11 LEU A 54 12.071 -5.308 16.143 1.00 0.00 H ATOM 495 HD12 LEU A 54 13.069 -6.582 16.887 1.00 0.00 H ATOM 496 HD13 LEU A 54 11.600 -7.018 15.981 1.00 0.00 H ATOM 497 H LEU A 54 9.490 -3.980 18.626 1.00 0.00 H ATOM 498 N PHE A 55 11.631 -2.781 21.010 1.00 15.53 N ATOM 499 CA PHE A 55 12.188 -1.907 22.026 1.00 14.68 C ATOM 500 C PHE A 55 11.554 -2.120 23.405 1.00 15.15 C ATOM 501 O PHE A 55 12.245 -2.303 24.406 1.00 13.46 O ATOM 502 CB PHE A 55 12.059 -0.434 21.607 1.00 16.12 C ATOM 503 CG PHE A 55 12.571 0.563 22.658 1.00 16.97 C ATOM 504 CD1 PHE A 55 13.926 0.944 22.711 1.00 16.05 C ATOM 505 CD2 PHE A 55 11.703 1.096 23.596 1.00 15.09 C ATOM 506 CE1 PHE A 55 14.385 1.847 23.677 1.00 17.13 C ATOM 507 CE2 PHE A 55 12.155 1.999 24.560 1.00 12.52 C ATOM 508 CZ PHE A 55 13.477 2.380 24.602 1.00 16.94 C ATOM 509 HA PHE A 55 13.243 -2.167 22.113 1.00 0.00 H ATOM 510 HB2 PHE A 55 12.629 -0.287 20.689 1.00 0.00 H ATOM 511 HB3 PHE A 55 11.007 -0.222 21.418 1.00 0.00 H ATOM 512 HD2 PHE A 55 10.652 0.807 23.582 1.00 0.00 H ATOM 513 HE2 PHE A 55 11.453 2.407 25.287 1.00 0.00 H ATOM 514 HZ PHE A 55 13.817 3.094 25.352 1.00 0.00 H ATOM 515 HE1 PHE A 55 15.436 2.132 23.709 1.00 0.00 H ATOM 516 HD1 PHE A 55 14.628 0.529 21.988 1.00 0.00 H ATOM 517 H PHE A 55 11.223 -2.355 20.154 1.00 0.00 H ATOM 518 N TYR A 56 10.231 -2.072 23.455 1.00 15.06 N ATOM 519 CA TYR A 56 9.585 -2.282 24.718 1.00 16.21 C ATOM 520 C TYR A 56 9.806 -3.686 25.241 1.00 16.20 C ATOM 521 O TYR A 56 10.139 -3.872 26.398 1.00 17.46 O ATOM 522 CB TYR A 56 8.114 -2.028 24.557 1.00 14.57 C ATOM 523 CG TYR A 56 7.793 -0.583 24.429 1.00 17.92 C ATOM 524 CD1 TYR A 56 8.016 0.292 25.485 1.00 20.76 C ATOM 525 CD2 TYR A 56 7.238 -0.090 23.269 1.00 20.98 C ATOM 526 CE1 TYR A 56 7.678 1.638 25.394 1.00 20.43 C ATOM 527 CE2 TYR A 56 6.910 1.234 23.149 1.00 21.02 C ATOM 528 CZ TYR A 56 7.139 2.104 24.198 1.00 20.14 C ATOM 529 OH TYR A 56 6.745 3.416 24.031 1.00 18.68 O ATOM 530 HA TYR A 56 10.017 -1.592 25.443 1.00 0.00 H ATOM 531 HB3 TYR A 56 7.594 -2.425 25.428 1.00 0.00 H ATOM 532 HB2 TYR A 56 7.767 -2.543 23.662 1.00 0.00 H ATOM 533 HD2 TYR A 56 7.057 -0.765 22.433 1.00 0.00 H ATOM 534 HE2 TYR A 56 6.467 1.603 22.224 1.00 0.00 H ATOM 535 HE1 TYR A 56 7.831 2.311 26.238 1.00 0.00 H ATOM 536 HD1 TYR A 56 8.465 -0.084 26.404 1.00 0.00 H ATOM 537 HH TYR A 56 6.963 3.931 24.848 1.00 0.00 H ATOM 538 H TYR A 56 9.673 -1.886 22.597 1.00 0.00 H ATOM 539 N LEU A 57 9.625 -4.686 24.399 1.00 16.93 N ATOM 540 CA LEU A 57 9.967 -6.059 24.802 1.00 17.01 C ATOM 541 C LEU A 57 11.406 -6.175 25.369 1.00 16.20 C ATOM 542 O LEU A 57 11.667 -6.842 26.385 1.00 15.77 O ATOM 543 CB LEU A 57 9.779 -7.024 23.609 1.00 17.53 C ATOM 544 CG LEU A 57 9.991 -8.522 23.886 1.00 20.01 C ATOM 545 CD1 LEU A 57 9.140 -9.099 25.112 1.00 17.95 C ATOM 546 CD2 LEU A 57 9.755 -9.325 22.608 1.00 17.67 C ATOM 547 HA LEU A 57 9.287 -6.336 25.608 1.00 0.00 H ATOM 548 HB2 LEU A 57 8.761 -6.898 23.240 1.00 0.00 H ATOM 549 HB3 LEU A 57 10.485 -6.729 22.832 1.00 0.00 H ATOM 550 HG LEU A 57 11.029 -8.632 24.201 1.00 0.00 H ATOM 551 HD21 LEU A 57 8.734 -9.163 22.262 1.00 0.00 H ATOM 552 HD22 LEU A 57 10.456 -8.998 21.840 1.00 0.00 H ATOM 553 HD23 LEU A 57 9.907 -10.385 22.813 1.00 0.00 H ATOM 554 HD11 LEU A 57 9.412 -8.567 26.024 1.00 0.00 H ATOM 555 HD12 LEU A 57 8.077 -8.961 24.912 1.00 0.00 H ATOM 556 HD13 LEU A 57 9.353 -10.161 25.233 1.00 0.00 H ATOM 557 H LEU A 57 9.240 -4.503 23.450 1.00 0.00 H ATOM 558 N GLY A 58 12.336 -5.486 24.764 1.00 15.74 N ATOM 559 CA GLY A 58 13.749 -5.586 25.214 1.00 14.66 C ATOM 560 C GLY A 58 13.939 -4.867 26.540 1.00 15.54 C ATOM 561 O GLY A 58 14.656 -5.339 27.425 1.00 16.17 O ATOM 562 HA3 GLY A 58 14.397 -5.133 24.464 1.00 0.00 H ATOM 563 HA2 GLY A 58 14.014 -6.636 25.334 1.00 0.00 H ATOM 564 H GLY A 58 12.088 -4.867 23.966 1.00 0.00 H ATOM 565 N GLN A 59 13.204 -3.774 26.704 1.00 16.26 N ATOM 566 CA GLN A 59 13.179 -3.017 27.964 1.00 16.44 C ATOM 567 C GLN A 59 12.589 -3.800 29.134 1.00 15.72 C ATOM 568 O GLN A 59 13.080 -3.725 30.279 1.00 14.72 O ATOM 569 CB GLN A 59 12.398 -1.712 27.739 1.00 18.06 C ATOM 570 CG GLN A 59 13.185 -0.717 26.774 1.00 20.04 C ATOM 571 CD GLN A 59 14.282 0.094 27.473 1.00 21.65 C ATOM 572 OE1 GLN A 59 15.461 -0.261 27.425 1.00 28.69 O ATOM 573 NE2 GLN A 59 13.904 1.191 28.080 1.00 23.10 N ATOM 574 HA GLN A 59 14.211 -2.806 28.243 1.00 0.00 H ATOM 575 HB2 GLN A 59 11.433 -1.950 27.292 1.00 0.00 H ATOM 576 HB3 GLN A 59 12.241 -1.223 28.700 1.00 0.00 H ATOM 577 HG2 GLN A 59 13.646 -1.303 25.979 1.00 0.00 H ATOM 578 HG3 GLN A 59 12.467 -0.021 26.341 1.00 0.00 H ATOM 579 HE22 GLN A 59 12.898 1.455 28.098 1.00 0.00 H ATOM 580 HE21 GLN A 59 14.609 1.798 28.544 1.00 0.00 H ATOM 581 H GLN A 59 12.622 -3.440 25.909 1.00 0.00 H ATOM 582 N TYR A 60 11.499 -4.509 28.854 1.00 16.72 N ATOM 583 CA TYR A 60 10.875 -5.414 29.823 1.00 16.41 C ATOM 584 C TYR A 60 11.820 -6.469 30.314 1.00 16.70 C ATOM 585 O TYR A 60 11.928 -6.699 31.534 1.00 17.72 O ATOM 586 CB TYR A 60 9.679 -6.095 29.179 1.00 18.06 C ATOM 587 CG TYR A 60 8.998 -7.043 30.096 1.00 16.16 C ATOM 588 CD1 TYR A 60 7.923 -6.608 30.902 1.00 21.70 C ATOM 589 CD2 TYR A 60 9.400 -8.374 30.180 1.00 17.57 C ATOM 590 CE1 TYR A 60 7.257 -7.488 31.754 1.00 19.24 C ATOM 591 CE2 TYR A 60 8.730 -9.268 31.042 1.00 19.56 C ATOM 592 CZ TYR A 60 7.659 -8.808 31.825 1.00 20.53 C ATOM 593 OH TYR A 60 6.998 -9.677 32.689 1.00 18.23 O ATOM 594 HA TYR A 60 10.571 -4.811 30.678 1.00 0.00 H ATOM 595 HB3 TYR A 60 10.020 -6.643 28.301 1.00 0.00 H ATOM 596 HB2 TYR A 60 8.965 -5.331 28.874 1.00 0.00 H ATOM 597 HD2 TYR A 60 10.236 -8.727 29.577 1.00 0.00 H ATOM 598 HE2 TYR A 60 9.042 -10.311 31.100 1.00 0.00 H ATOM 599 HE1 TYR A 60 6.423 -7.136 32.361 1.00 0.00 H ATOM 600 HD1 TYR A 60 7.608 -5.565 30.857 1.00 0.00 H ATOM 601 HH TYR A 60 6.276 -9.188 33.158 1.00 0.00 H ATOM 602 H TYR A 60 11.073 -4.417 27.910 1.00 0.00 H ATOM 603 N ILE A 61 12.448 -7.167 29.366 1.00 16.48 N ATOM 604 CA ILE A 61 13.540 -8.122 29.644 1.00 16.84 C ATOM 605 C ILE A 61 14.720 -7.529 30.443 1.00 17.37 C ATOM 606 O ILE A 61 15.207 -8.158 31.389 1.00 15.87 O ATOM 607 CB ILE A 61 14.028 -8.814 28.300 1.00 17.58 C ATOM 608 CG1 ILE A 61 12.848 -9.580 27.676 1.00 15.49 C ATOM 609 CG2 ILE A 61 15.320 -9.678 28.515 1.00 19.10 C ATOM 610 CD1 ILE A 61 13.098 -10.307 26.310 1.00 12.16 C ATOM 611 HA ILE A 61 13.116 -8.880 30.302 1.00 0.00 H ATOM 612 HB ILE A 61 14.339 -8.054 27.583 1.00 0.00 H ATOM 613 HG12 ILE A 61 12.532 -10.336 28.395 1.00 0.00 H ATOM 614 HG13 ILE A 61 12.039 -8.866 27.523 1.00 0.00 H ATOM 615 HD11 ILE A 61 13.396 -9.575 25.559 1.00 0.00 H ATOM 616 HD12 ILE A 61 13.889 -11.046 26.433 1.00 0.00 H ATOM 617 HD13 ILE A 61 12.182 -10.804 25.991 1.00 0.00 H ATOM 618 HG21 ILE A 61 16.125 -9.041 28.881 1.00 0.00 H ATOM 619 HG22 ILE A 61 15.115 -10.461 29.245 1.00 0.00 H ATOM 620 HG23 ILE A 61 15.615 -10.131 27.568 1.00 0.00 H ATOM 621 H ILE A 61 12.153 -7.031 28.378 1.00 0.00 H ATOM 622 N MET A 62 15.177 -6.337 30.046 1.00 18.40 N ATOM 623 CA MET A 62 16.304 -5.683 30.719 1.00 20.52 C ATOM 624 C MET A 62 15.932 -5.217 32.138 1.00 19.66 C ATOM 625 O MET A 62 16.668 -5.468 33.062 1.00 18.70 O ATOM 626 CB MET A 62 16.833 -4.535 29.900 1.00 21.39 C ATOM 627 CG MET A 62 17.783 -3.632 30.674 1.00 25.84 C ATOM 628 SD MET A 62 18.267 -2.245 29.666 1.00 34.50 S ATOM 629 CE MET A 62 16.816 -1.236 29.953 1.00 32.60 C ATOM 630 HA MET A 62 17.095 -6.426 30.816 1.00 0.00 H ATOM 631 HB2 MET A 62 17.364 -4.940 29.039 1.00 0.00 H ATOM 632 HB3 MET A 62 15.989 -3.937 29.556 1.00 0.00 H ATOM 633 HG2 MET A 62 18.670 -4.199 30.957 1.00 0.00 H ATOM 634 HG3 MET A 62 17.284 -3.269 31.572 1.00 0.00 H ATOM 635 HE1 MET A 62 15.930 -1.771 29.611 1.00 0.00 H ATOM 636 HE2 MET A 62 16.726 -1.026 31.019 1.00 0.00 H ATOM 637 HE3 MET A 62 16.912 -0.300 29.403 1.00 0.00 H ATOM 638 H MET A 62 14.722 -5.862 29.240 1.00 0.00 H ATOM 639 N THR A 63 14.758 -4.620 32.297 1.00 18.80 N ATOM 640 CA THR A 63 14.404 -4.032 33.558 1.00 19.07 C ATOM 641 C THR A 63 14.197 -5.113 34.574 1.00 18.95 C ATOM 642 O THR A 63 14.713 -5.022 35.665 1.00 18.53 O ATOM 643 CB THR A 63 13.146 -3.162 33.487 1.00 18.10 C ATOM 644 OG1 THR A 63 12.116 -3.900 32.853 1.00 20.45 O ATOM 645 CG2 THR A 63 13.431 -1.873 32.692 1.00 19.75 C ATOM 646 HA THR A 63 15.230 -3.380 33.843 1.00 0.00 H ATOM 647 HB THR A 63 12.839 -2.884 34.495 1.00 0.00 H ATOM 648 HG1 THR A 63 12.404 -4.149 31.939 1.00 0.00 H ATOM 649 HG23 THR A 63 14.224 -1.311 33.186 1.00 0.00 H ATOM 650 HG21 THR A 63 13.744 -2.133 31.681 1.00 0.00 H ATOM 651 HG22 THR A 63 12.526 -1.266 32.649 1.00 0.00 H ATOM 652 H THR A 63 14.089 -4.578 31.502 1.00 0.00 H ATOM 653 N LYS A 64 13.466 -6.161 34.194 1.00 19.38 N ATOM 654 CA LYS A 64 13.243 -7.304 35.086 1.00 18.58 C ATOM 655 C LYS A 64 14.467 -8.248 35.149 1.00 19.03 C ATOM 656 O LYS A 64 14.579 -9.095 36.046 1.00 17.49 O ATOM 657 CB LYS A 64 12.009 -8.039 34.643 1.00 18.52 C ATOM 658 CG LYS A 64 10.770 -7.237 34.814 1.00 17.72 C ATOM 659 CD LYS A 64 9.515 -8.137 34.785 1.00 19.31 C ATOM 660 CE LYS A 64 9.373 -9.002 36.054 1.00 17.37 C ATOM 661 NZ LYS A 64 8.111 -9.833 36.069 1.00 19.30 N ATOM 662 HA LYS A 64 13.099 -6.928 36.099 1.00 0.00 H ATOM 663 HB2 LYS A 64 12.116 -8.296 33.589 1.00 0.00 H ATOM 664 HB3 LYS A 64 11.917 -8.952 35.231 1.00 0.00 H ATOM 665 HG2 LYS A 64 10.812 -6.716 35.770 1.00 0.00 H ATOM 666 HG3 LYS A 64 10.704 -6.508 34.007 1.00 0.00 H ATOM 667 HD2 LYS A 64 8.633 -7.503 34.694 1.00 0.00 H ATOM 668 HD3 LYS A 64 9.578 -8.796 33.919 1.00 0.00 H ATOM 669 HE2 LYS A 64 9.366 -8.344 36.923 1.00 0.00 H ATOM 670 HE3 LYS A 64 10.230 -9.672 36.115 1.00 0.00 H ATOM 671 HZ1 LYS A 64 7.283 -9.205 36.022 1.00 0.00 H ATOM 672 HZ2 LYS A 64 8.109 -10.473 35.250 1.00 0.00 H ATOM 673 HZ3 LYS A 64 8.075 -10.391 36.946 1.00 0.00 H ATOM 674 H LYS A 64 13.044 -6.168 33.243 1.00 0.00 H ATOM 675 N ARG A 65 15.382 -8.100 34.193 1.00 18.70 N ATOM 676 CA ARG A 65 16.660 -8.859 34.220 1.00 20.62 C ATOM 677 C ARG A 65 16.396 -10.351 34.055 1.00 20.90 C ATOM 678 O ARG A 65 16.799 -11.176 34.879 1.00 21.58 O ATOM 679 CB ARG A 65 17.468 -8.571 35.499 1.00 21.84 C ATOM 680 CG ARG A 65 18.209 -7.226 35.474 1.00 23.98 C ATOM 681 CD ARG A 65 18.608 -6.790 36.900 1.00 33.81 C ATOM 682 NE ARG A 65 19.817 -7.466 37.394 1.00 38.66 N ATOM 683 CZ ARG A 65 19.855 -8.478 38.272 1.00 39.42 C ATOM 684 NH1 ARG A 65 18.728 -8.992 38.808 1.00 38.75 N ATOM 685 NH2 ARG A 65 21.047 -8.969 38.613 1.00 35.80 N ATOM 686 HA ARG A 65 17.267 -8.523 33.379 1.00 0.00 H ATOM 687 HB2 ARG A 65 16.782 -8.570 36.346 1.00 0.00 H ATOM 688 HB3 ARG A 65 18.202 -9.366 35.628 1.00 0.00 H ATOM 689 HG2 ARG A 65 19.108 -7.325 34.866 1.00 0.00 H ATOM 690 HG3 ARG A 65 17.559 -6.468 35.038 1.00 0.00 H ATOM 691 HD2 ARG A 65 17.783 -7.016 37.576 1.00 0.00 H ATOM 692 HD3 ARG A 65 18.788 -5.715 36.896 1.00 0.00 H ATOM 693 HE ARG A 65 20.729 -7.127 37.027 1.00 0.00 H ATOM 694 HH12 ARG A 65 18.786 -9.777 39.487 1.00 0.00 H ATOM 695 HH11 ARG A 65 17.801 -8.603 38.542 1.00 0.00 H ATOM 696 HH22 ARG A 65 21.111 -9.754 39.292 1.00 0.00 H ATOM 697 HH21 ARG A 65 21.913 -8.567 38.200 1.00 0.00 H ATOM 698 H ARG A 65 15.199 -7.439 33.411 1.00 0.00 H ATOM 699 N LEU A 66 15.669 -10.692 32.990 1.00 20.53 N ATOM 700 CA LEU A 66 15.205 -12.058 32.785 1.00 20.16 C ATOM 701 C LEU A 66 16.290 -12.868 32.104 1.00 19.76 C ATOM 702 O LEU A 66 16.210 -14.101 32.010 1.00 20.11 O ATOM 703 CB LEU A 66 13.896 -12.054 31.978 1.00 20.39 C ATOM 704 CG LEU A 66 12.666 -11.471 32.691 1.00 22.24 C ATOM 705 CD1 LEU A 66 11.409 -11.514 31.842 1.00 22.92 C ATOM 706 CD2 LEU A 66 12.405 -12.136 34.058 1.00 23.23 C ATOM 707 HA LEU A 66 14.994 -12.526 33.747 1.00 0.00 H ATOM 708 HB2 LEU A 66 14.064 -11.471 31.072 1.00 0.00 H ATOM 709 HB3 LEU A 66 13.667 -13.085 31.708 1.00 0.00 H ATOM 710 HG LEU A 66 12.912 -10.423 32.862 1.00 0.00 H ATOM 711 HD21 LEU A 66 12.236 -13.203 33.915 1.00 0.00 H ATOM 712 HD22 LEU A 66 13.270 -11.987 34.704 1.00 0.00 H ATOM 713 HD23 LEU A 66 11.525 -11.686 34.517 1.00 0.00 H ATOM 714 HD11 LEU A 66 11.567 -10.937 30.931 1.00 0.00 H ATOM 715 HD12 LEU A 66 11.182 -12.548 31.583 1.00 0.00 H ATOM 716 HD13 LEU A 66 10.578 -11.088 32.404 1.00 0.00 H ATOM 717 H LEU A 66 15.427 -9.964 32.288 1.00 0.00 H ATOM 718 N TYR A 67 17.322 -12.171 31.639 1.00 19.38 N ATOM 719 CA TYR A 67 18.390 -12.831 30.915 1.00 19.15 C ATOM 720 C TYR A 67 19.340 -13.514 31.882 1.00 19.55 C ATOM 721 O TYR A 67 19.389 -13.186 33.082 1.00 18.96 O ATOM 722 CB TYR A 67 19.123 -11.813 30.035 1.00 19.06 C ATOM 723 CG TYR A 67 19.660 -10.601 30.770 1.00 16.71 C ATOM 724 CD1 TYR A 67 20.892 -10.647 31.386 1.00 17.22 C ATOM 725 CD2 TYR A 67 18.939 -9.410 30.848 1.00 14.86 C ATOM 726 CE1 TYR A 67 21.397 -9.571 32.057 1.00 20.15 C ATOM 727 CE2 TYR A 67 19.450 -8.315 31.539 1.00 17.01 C ATOM 728 CZ TYR A 67 20.696 -8.421 32.125 1.00 19.27 C ATOM 729 OH TYR A 67 21.263 -7.390 32.805 1.00 21.09 O ATOM 730 HA TYR A 67 17.968 -13.601 30.269 1.00 0.00 H ATOM 731 HB3 TYR A 67 18.429 -11.465 29.270 1.00 0.00 H ATOM 732 HB2 TYR A 67 19.962 -12.320 29.559 1.00 0.00 H ATOM 733 HD2 TYR A 67 17.966 -9.336 30.363 1.00 0.00 H ATOM 734 HE2 TYR A 67 18.877 -7.391 31.616 1.00 0.00 H ATOM 735 HE1 TYR A 67 22.372 -9.642 32.540 1.00 0.00 H ATOM 736 HD1 TYR A 67 21.477 -11.565 31.336 1.00 0.00 H ATOM 737 HH TYR A 67 20.681 -7.138 33.566 1.00 0.00 H ATOM 738 H TYR A 67 17.363 -11.144 31.796 1.00 0.00 H ATOM 739 N ASP A 68 20.105 -14.454 31.360 1.00 18.51 N ATOM 740 CA ASP A 68 21.112 -15.131 32.120 1.00 19.01 C ATOM 741 C ASP A 68 22.302 -14.192 32.197 1.00 18.90 C ATOM 742 O ASP A 68 22.874 -13.820 31.183 1.00 17.79 O ATOM 743 CB ASP A 68 21.484 -16.403 31.370 1.00 19.21 C ATOM 744 CG ASP A 68 22.514 -17.259 32.076 1.00 19.56 C ATOM 745 OD1 ASP A 68 22.507 -18.460 31.765 1.00 20.65 O ATOM 746 OD2 ASP A 68 23.333 -16.782 32.902 1.00 20.18 O ATOM 747 HA ASP A 68 20.777 -15.395 33.123 1.00 0.00 H ATOM 748 HB2 ASP A 68 20.580 -16.997 31.234 1.00 0.00 H ATOM 749 HB3 ASP A 68 21.883 -16.122 30.395 1.00 0.00 H ATOM 750 H ASP A 68 19.972 -14.712 30.361 1.00 0.00 H ATOM 751 N GLU A 69 22.673 -13.833 33.420 1.00 19.57 N ATOM 752 CA GLU A 69 23.875 -13.042 33.681 1.00 21.10 C ATOM 753 C GLU A 69 25.134 -13.529 32.965 1.00 20.67 C ATOM 754 O GLU A 69 25.943 -12.717 32.523 1.00 21.50 O ATOM 755 CB GLU A 69 24.142 -12.964 35.198 1.00 21.45 C ATOM 756 CG GLU A 69 24.880 -11.716 35.626 1.00 25.49 C ATOM 757 CD GLU A 69 24.130 -10.395 35.328 1.00 31.07 C ATOM 758 OE1 GLU A 69 22.955 -10.189 35.729 1.00 32.54 O ATOM 759 OE2 GLU A 69 24.747 -9.536 34.676 1.00 35.62 O ATOM 760 HA GLU A 69 23.661 -12.055 33.270 1.00 0.00 H ATOM 761 HB2 GLU A 69 23.184 -12.992 35.717 1.00 0.00 H ATOM 762 HB3 GLU A 69 24.736 -13.831 35.487 1.00 0.00 H ATOM 763 HG2 GLU A 69 25.054 -11.774 36.700 1.00 0.00 H ATOM 764 HG3 GLU A 69 25.837 -11.690 35.105 1.00 0.00 H ATOM 765 H GLU A 69 22.085 -14.126 34.226 1.00 0.00 H ATOM 766 N LYS A 70 25.295 -14.847 32.870 1.00 21.06 N ATOM 767 CA LYS A 70 26.518 -15.454 32.326 1.00 21.21 C ATOM 768 C LYS A 70 26.401 -15.781 30.823 1.00 21.08 C ATOM 769 O LYS A 70 27.407 -15.987 30.162 1.00 20.15 O ATOM 770 CB LYS A 70 26.890 -16.701 33.112 1.00 20.75 C ATOM 771 CG LYS A 70 26.961 -16.532 34.645 1.00 23.12 C ATOM 772 CD LYS A 70 27.541 -17.800 35.237 1.00 26.63 C ATOM 773 CE LYS A 70 27.171 -18.066 36.722 1.00 28.90 C ATOM 774 NZ LYS A 70 27.381 -16.918 37.667 1.00 28.30 N ATOM 775 HA LYS A 70 27.311 -14.714 32.430 1.00 0.00 H ATOM 776 HB2 LYS A 70 26.147 -17.468 32.894 1.00 0.00 H ATOM 777 HB3 LYS A 70 27.868 -17.035 32.766 1.00 0.00 H ATOM 778 HG2 LYS A 70 27.599 -15.684 34.893 1.00 0.00 H ATOM 779 HG3 LYS A 70 25.961 -16.362 35.044 1.00 0.00 H ATOM 780 HD2 LYS A 70 27.185 -18.643 34.644 1.00 0.00 H ATOM 781 HD3 LYS A 70 28.627 -17.740 35.165 1.00 0.00 H ATOM 782 HE2 LYS A 70 27.776 -18.902 37.072 1.00 0.00 H ATOM 783 HE3 LYS A 70 26.117 -18.341 36.760 1.00 0.00 H ATOM 784 HZ1 LYS A 70 28.385 -16.646 37.662 1.00 0.00 H ATOM 785 HZ2 LYS A 70 26.800 -16.110 37.364 1.00 0.00 H ATOM 786 HZ3 LYS A 70 27.103 -17.205 38.627 1.00 0.00 H ATOM 787 H LYS A 70 24.527 -15.470 33.193 1.00 0.00 H ATOM 788 N GLN A 71 25.165 -15.845 30.306 1.00 20.66 N ATOM 789 CA GLN A 71 24.913 -16.088 28.876 1.00 20.02 C ATOM 790 C GLN A 71 23.731 -15.177 28.520 1.00 19.97 C ATOM 791 O GLN A 71 22.529 -15.570 28.548 1.00 19.17 O ATOM 792 CB GLN A 71 24.586 -17.569 28.562 1.00 20.09 C ATOM 793 CG GLN A 71 25.615 -18.619 28.942 1.00 21.30 C ATOM 794 CD GLN A 71 26.771 -18.744 27.933 1.00 23.45 C ATOM 795 OE1 GLN A 71 26.573 -18.756 26.710 1.00 24.83 O ATOM 796 NE2 GLN A 71 27.985 -18.854 28.459 1.00 27.35 N ATOM 797 HA GLN A 71 25.804 -15.871 28.286 1.00 0.00 H ATOM 798 HB2 GLN A 71 23.662 -17.816 29.085 1.00 0.00 H ATOM 799 HB3 GLN A 71 24.425 -17.645 27.487 1.00 0.00 H ATOM 800 HG2 GLN A 71 26.033 -18.356 29.914 1.00 0.00 H ATOM 801 HG3 GLN A 71 25.113 -19.584 29.012 1.00 0.00 H ATOM 802 HE22 GLN A 71 28.108 -18.839 29.492 1.00 0.00 H ATOM 803 HE21 GLN A 71 28.813 -18.955 27.838 1.00 0.00 H ATOM 804 H GLN A 71 24.351 -15.718 30.941 1.00 0.00 H ATOM 805 N GLN A 72 24.094 -13.934 28.245 1.00 18.70 N ATOM 806 CA GLN A 72 23.137 -12.860 28.248 1.00 19.42 C ATOM 807 C GLN A 72 22.149 -12.880 27.097 1.00 18.77 C ATOM 808 O GLN A 72 21.107 -12.234 27.186 1.00 19.07 O ATOM 809 CB GLN A 72 23.867 -11.526 28.339 1.00 18.82 C ATOM 810 CG GLN A 72 24.663 -11.412 29.651 1.00 22.24 C ATOM 811 CD GLN A 72 24.815 -10.001 30.148 1.00 26.41 C ATOM 812 OE1 GLN A 72 24.463 -9.035 29.451 1.00 29.04 O ATOM 813 NE2 GLN A 72 25.312 -9.866 31.390 1.00 27.19 N ATOM 814 HA GLN A 72 22.516 -13.006 29.131 1.00 0.00 H ATOM 815 HB2 GLN A 72 24.555 -11.439 27.498 1.00 0.00 H ATOM 816 HB3 GLN A 72 23.137 -10.718 28.295 1.00 0.00 H ATOM 817 HG2 GLN A 72 24.149 -11.993 30.417 1.00 0.00 H ATOM 818 HG3 GLN A 72 25.657 -11.828 29.487 1.00 0.00 H ATOM 819 HE22 GLN A 72 25.592 -10.708 31.932 1.00 0.00 H ATOM 820 HE21 GLN A 72 25.416 -8.920 31.808 1.00 0.00 H ATOM 821 H GLN A 72 25.089 -13.730 28.023 1.00 0.00 H ATOM 822 N HIS A 73 22.445 -13.623 26.039 1.00 19.67 N ATOM 823 CA HIS A 73 21.479 -13.766 24.965 1.00 20.75 C ATOM 824 C HIS A 73 20.354 -14.743 25.344 1.00 20.48 C ATOM 825 O HIS A 73 19.332 -14.833 24.651 1.00 21.68 O ATOM 826 CB HIS A 73 22.164 -14.172 23.662 1.00 21.48 C ATOM 827 CG HIS A 73 22.939 -15.433 23.775 1.00 24.13 C ATOM 828 ND1 HIS A 73 22.411 -16.661 23.435 1.00 25.58 N ATOM 829 CD2 HIS A 73 24.196 -15.668 24.227 1.00 26.11 C ATOM 830 CE1 HIS A 73 23.324 -17.596 23.656 1.00 26.83 C ATOM 831 NE2 HIS A 73 24.414 -17.022 24.139 1.00 25.05 N ATOM 832 HA HIS A 73 21.015 -12.793 24.804 1.00 0.00 H ATOM 833 HB2 HIS A 73 21.400 -14.302 22.895 1.00 0.00 H ATOM 834 HB3 HIS A 73 22.843 -13.373 23.364 1.00 0.00 H ATOM 835 HD2 HIS A 73 24.902 -14.922 24.592 1.00 0.00 H ATOM 836 HE1 HIS A 73 23.198 -18.663 23.470 1.00 0.00 H ATOM 837 H HIS A 73 23.366 -14.102 25.979 1.00 0.00 H ATOM 838 N ILE A 74 20.523 -15.483 26.444 1.00 18.79 N ATOM 839 CA ILE A 74 19.471 -16.389 26.896 1.00 17.42 C ATOM 840 C ILE A 74 18.573 -15.625 27.839 1.00 17.84 C ATOM 841 O ILE A 74 19.097 -14.972 28.743 1.00 16.01 O ATOM 842 CB ILE A 74 20.025 -17.631 27.668 1.00 17.92 C ATOM 843 CG1 ILE A 74 20.977 -18.456 26.801 1.00 18.61 C ATOM 844 CG2 ILE A 74 18.878 -18.557 28.113 1.00 18.47 C ATOM 845 CD1 ILE A 74 21.605 -19.640 27.573 1.00 18.55 C ATOM 846 HA ILE A 74 18.946 -16.752 26.012 1.00 0.00 H ATOM 847 HB ILE A 74 20.560 -17.242 28.534 1.00 0.00 H ATOM 848 HG12 ILE A 74 20.423 -18.849 25.949 1.00 0.00 H ATOM 849 HG13 ILE A 74 21.777 -17.807 26.445 1.00 0.00 H ATOM 850 HD11 ILE A 74 22.170 -19.259 28.424 1.00 0.00 H ATOM 851 HD12 ILE A 74 20.814 -20.301 27.927 1.00 0.00 H ATOM 852 HD13 ILE A 74 22.272 -20.191 26.910 1.00 0.00 H ATOM 853 HG21 ILE A 74 18.203 -18.008 28.769 1.00 0.00 H ATOM 854 HG22 ILE A 74 18.332 -18.904 27.236 1.00 0.00 H ATOM 855 HG23 ILE A 74 19.290 -19.413 28.648 1.00 0.00 H ATOM 856 H ILE A 74 21.410 -15.413 26.982 1.00 0.00 H ATOM 857 N VAL A 75 17.256 -15.764 27.627 1.00 16.83 N ATOM 858 CA VAL A 75 16.214 -15.172 28.474 1.00 18.78 C ATOM 859 C VAL A 75 15.525 -16.332 29.191 1.00 17.52 C ATOM 860 O VAL A 75 15.199 -17.331 28.547 1.00 16.39 O ATOM 861 CB VAL A 75 15.194 -14.409 27.609 1.00 18.44 C ATOM 862 CG1 VAL A 75 14.002 -13.890 28.436 1.00 19.03 C ATOM 863 CG2 VAL A 75 15.946 -13.257 26.772 1.00 20.09 C ATOM 864 HA VAL A 75 16.642 -14.464 29.184 1.00 0.00 H ATOM 865 HB VAL A 75 14.752 -15.100 26.891 1.00 0.00 H ATOM 866 HG11 VAL A 75 13.490 -14.732 28.901 1.00 0.00 H ATOM 867 HG12 VAL A 75 14.365 -13.213 29.209 1.00 0.00 H ATOM 868 HG13 VAL A 75 13.311 -13.359 27.781 1.00 0.00 H ATOM 869 HG21 VAL A 75 16.426 -12.563 27.462 1.00 0.00 H ATOM 870 HG22 VAL A 75 16.699 -13.711 26.128 1.00 0.00 H ATOM 871 HG23 VAL A 75 15.220 -12.720 26.162 1.00 0.00 H ATOM 872 H VAL A 75 16.953 -16.329 26.808 1.00 0.00 H ATOM 873 N TYR A 76 15.374 -16.217 30.511 1.00 17.29 N ATOM 874 CA TYR A 76 14.600 -17.177 31.290 1.00 17.51 C ATOM 875 C TYR A 76 13.330 -16.490 31.737 1.00 17.85 C ATOM 876 O TYR A 76 13.335 -15.713 32.688 1.00 17.30 O ATOM 877 CB TYR A 76 15.370 -17.614 32.516 1.00 17.98 C ATOM 878 CG TYR A 76 16.702 -18.279 32.220 1.00 18.83 C ATOM 879 CD1 TYR A 76 16.775 -19.406 31.389 1.00 19.58 C ATOM 880 CD2 TYR A 76 17.873 -17.813 32.799 1.00 16.98 C ATOM 881 CE1 TYR A 76 17.994 -20.030 31.154 1.00 18.22 C ATOM 882 CE2 TYR A 76 19.084 -18.450 32.573 1.00 19.70 C ATOM 883 CZ TYR A 76 19.127 -19.539 31.749 1.00 17.00 C ATOM 884 OH TYR A 76 20.310 -20.181 31.507 1.00 19.39 O ATOM 885 HA TYR A 76 14.387 -18.055 30.680 1.00 0.00 H ATOM 886 HB3 TYR A 76 14.753 -18.320 33.072 1.00 0.00 H ATOM 887 HB2 TYR A 76 15.558 -16.734 33.132 1.00 0.00 H ATOM 888 HD2 TYR A 76 17.841 -16.933 33.441 1.00 0.00 H ATOM 889 HE2 TYR A 76 19.994 -18.085 33.049 1.00 0.00 H ATOM 890 HE1 TYR A 76 18.049 -20.902 30.502 1.00 0.00 H ATOM 891 HD1 TYR A 76 15.869 -19.795 30.924 1.00 0.00 H ATOM 892 HH TYR A 76 20.949 -19.548 31.093 1.00 0.00 H ATOM 893 H TYR A 76 15.823 -15.417 31.001 1.00 0.00 H ATOM 894 N CYS A 77 12.253 -16.765 31.030 1.00 17.75 N ATOM 895 CA CYS A 77 10.971 -16.078 31.210 1.00 17.44 C ATOM 896 C CYS A 77 9.916 -16.999 31.766 1.00 17.59 C ATOM 897 O CYS A 77 8.739 -16.732 31.637 1.00 18.28 O ATOM 898 CB CYS A 77 10.511 -15.469 29.888 1.00 16.78 C ATOM 899 SG CYS A 77 10.445 -16.651 28.528 1.00 20.19 S ATOM 900 HA CYS A 77 11.120 -15.279 31.937 1.00 0.00 H ATOM 901 HB2 CYS A 77 11.203 -14.671 29.617 1.00 0.00 H ATOM 902 HB3 CYS A 77 9.514 -15.051 30.030 1.00 0.00 H ATOM 903 HG CYS A 77 9.562 -17.664 28.843 1.00 0.00 H ATOM 904 H CYS A 77 12.316 -17.509 30.306 1.00 0.00 H ATOM 905 N SER A 78 10.360 -18.072 32.418 1.00 19.08 N ATOM 906 CA SER A 78 9.499 -18.935 33.243 1.00 18.87 C ATOM 907 C SER A 78 8.718 -18.158 34.312 1.00 19.12 C ATOM 908 O SER A 78 9.239 -17.238 34.924 1.00 17.70 O ATOM 909 CB SER A 78 10.324 -20.031 33.920 1.00 19.00 C ATOM 910 OG SER A 78 9.455 -21.027 34.461 1.00 20.44 O ATOM 911 HA SER A 78 8.773 -19.378 32.561 1.00 0.00 H ATOM 912 HB2 SER A 78 10.918 -19.594 34.723 1.00 0.00 H ATOM 913 HB3 SER A 78 10.988 -20.489 33.187 1.00 0.00 H ATOM 914 HG SER A 78 9.995 -21.733 34.897 1.00 0.00 H ATOM 915 H SER A 78 11.369 -18.313 32.340 1.00 0.00 H ATOM 916 N ASN A 79 7.459 -18.548 34.503 1.00 17.99 N ATOM 917 CA ASN A 79 6.675 -18.058 35.631 1.00 19.51 C ATOM 918 C ASN A 79 6.506 -16.510 35.575 1.00 18.66 C ATOM 919 O ASN A 79 6.642 -15.785 36.541 1.00 19.05 O ATOM 920 CB ASN A 79 7.286 -18.589 36.941 1.00 17.34 C ATOM 921 CG ASN A 79 6.340 -18.490 38.107 1.00 20.86 C ATOM 922 OD1 ASN A 79 5.105 -18.320 37.938 1.00 18.27 O ATOM 923 ND2 ASN A 79 6.901 -18.592 39.321 1.00 17.38 N ATOM 924 HA ASN A 79 5.657 -18.444 35.580 1.00 0.00 H ATOM 925 HB2 ASN A 79 7.558 -19.635 36.800 1.00 0.00 H ATOM 926 HB3 ASN A 79 8.181 -18.010 37.168 1.00 0.00 H ATOM 927 HD22 ASN A 79 7.928 -18.732 39.409 1.00 0.00 H ATOM 928 HD21 ASN A 79 6.309 -18.531 40.174 1.00 0.00 H ATOM 929 H ASN A 79 7.026 -19.216 33.834 1.00 0.00 H ATOM 930 N ASP A 80 6.164 -16.029 34.395 1.00 19.24 N ATOM 931 CA ASP A 80 6.206 -14.620 34.117 1.00 18.24 C ATOM 932 C ASP A 80 5.311 -14.399 32.938 1.00 17.62 C ATOM 933 O ASP A 80 5.205 -15.299 32.105 1.00 18.00 O ATOM 934 CB ASP A 80 7.633 -14.258 33.733 1.00 18.52 C ATOM 935 CG ASP A 80 7.853 -12.791 33.666 1.00 18.35 C ATOM 936 OD1 ASP A 80 8.015 -12.153 34.764 1.00 11.50 O ATOM 937 OD2 ASP A 80 7.821 -12.299 32.495 1.00 15.07 O ATOM 938 HA ASP A 80 5.893 -14.020 34.971 1.00 0.00 H ATOM 939 HB2 ASP A 80 8.312 -14.679 34.475 1.00 0.00 H ATOM 940 HB3 ASP A 80 7.852 -14.689 32.756 1.00 0.00 H ATOM 941 H ASP A 80 5.857 -16.685 33.649 1.00 0.00 H ATOM 942 N LEU A 81 4.680 -13.219 32.871 1.00 16.49 N ATOM 943 CA LEU A 81 3.889 -12.796 31.715 1.00 15.91 C ATOM 944 C LEU A 81 4.548 -13.071 30.327 1.00 15.50 C ATOM 945 O LEU A 81 3.875 -13.411 29.350 1.00 13.28 O ATOM 946 CB LEU A 81 3.636 -11.295 31.836 1.00 16.10 C ATOM 947 CG LEU A 81 2.922 -10.542 30.716 1.00 17.27 C ATOM 948 CD1 LEU A 81 1.508 -11.116 30.375 1.00 19.29 C ATOM 949 CD2 LEU A 81 2.848 -9.022 31.034 1.00 18.99 C ATOM 950 HA LEU A 81 2.975 -13.390 31.738 1.00 0.00 H ATOM 951 HB2 LEU A 81 3.044 -11.149 32.739 1.00 0.00 H ATOM 952 HB3 LEU A 81 4.610 -10.822 31.961 1.00 0.00 H ATOM 953 HG LEU A 81 3.525 -10.688 29.820 1.00 0.00 H ATOM 954 HD21 LEU A 81 2.300 -8.873 31.964 1.00 0.00 H ATOM 955 HD22 LEU A 81 3.858 -8.624 31.138 1.00 0.00 H ATOM 956 HD23 LEU A 81 2.335 -8.507 30.222 1.00 0.00 H ATOM 957 HD11 LEU A 81 1.606 -12.154 30.058 1.00 0.00 H ATOM 958 HD12 LEU A 81 0.873 -11.063 31.259 1.00 0.00 H ATOM 959 HD13 LEU A 81 1.063 -10.530 29.571 1.00 0.00 H ATOM 960 H LEU A 81 4.756 -12.571 33.681 1.00 0.00 H ATOM 961 N LEU A 82 5.854 -12.866 30.252 1.00 15.84 N ATOM 962 CA LEU A 82 6.539 -13.039 28.958 1.00 16.30 C ATOM 963 C LEU A 82 6.493 -14.525 28.554 1.00 16.46 C ATOM 964 O LEU A 82 6.370 -14.869 27.356 1.00 17.75 O ATOM 965 CB LEU A 82 7.963 -12.524 29.028 1.00 14.19 C ATOM 966 CG LEU A 82 8.728 -12.847 27.732 1.00 15.84 C ATOM 967 CD1 LEU A 82 8.034 -12.376 26.403 1.00 13.78 C ATOM 968 CD2 LEU A 82 10.193 -12.328 27.835 1.00 14.15 C ATOM 969 HA LEU A 82 6.026 -12.454 28.195 1.00 0.00 H ATOM 970 HB2 LEU A 82 7.945 -11.444 29.173 1.00 0.00 H ATOM 971 HB3 LEU A 82 8.472 -12.994 29.870 1.00 0.00 H ATOM 972 HG LEU A 82 8.726 -13.934 27.651 1.00 0.00 H ATOM 973 HD21 LEU A 82 10.185 -11.249 27.988 1.00 0.00 H ATOM 974 HD22 LEU A 82 10.690 -12.812 28.676 1.00 0.00 H ATOM 975 HD23 LEU A 82 10.726 -12.562 26.913 1.00 0.00 H ATOM 976 HD11 LEU A 82 7.059 -12.856 26.314 1.00 0.00 H ATOM 977 HD12 LEU A 82 7.907 -11.294 26.425 1.00 0.00 H ATOM 978 HD13 LEU A 82 8.656 -12.653 25.552 1.00 0.00 H ATOM 979 H LEU A 82 6.391 -12.586 31.097 1.00 0.00 H ATOM 980 N GLY A 83 6.627 -15.396 29.546 1.00 16.36 N ATOM 981 CA GLY A 83 6.468 -16.830 29.327 1.00 17.29 C ATOM 982 C GLY A 83 5.053 -17.218 28.927 1.00 17.60 C ATOM 983 O GLY A 83 4.838 -18.087 28.062 1.00 16.22 O ATOM 984 HA3 GLY A 83 6.724 -17.353 30.249 1.00 0.00 H ATOM 985 HA2 GLY A 83 7.150 -17.138 28.534 1.00 0.00 H ATOM 986 H GLY A 83 6.850 -15.049 30.501 1.00 0.00 H ATOM 987 N ASP A 84 4.085 -16.573 29.567 1.00 17.95 N ATOM 988 CA ASP A 84 2.644 -16.835 29.321 1.00 17.53 C ATOM 989 C ASP A 84 2.230 -16.506 27.895 1.00 18.14 C ATOM 990 O ASP A 84 1.523 -17.289 27.261 1.00 19.20 O ATOM 991 CB ASP A 84 1.799 -16.040 30.285 1.00 16.58 C ATOM 992 CG ASP A 84 1.885 -16.574 31.696 1.00 17.23 C ATOM 993 OD1 ASP A 84 2.369 -17.699 31.856 1.00 14.90 O ATOM 994 OD2 ASP A 84 1.496 -15.866 32.647 1.00 20.44 O ATOM 995 HA ASP A 84 2.484 -17.902 29.475 1.00 0.00 H ATOM 996 HB2 ASP A 84 2.140 -15.005 30.280 1.00 0.00 H ATOM 997 HB3 ASP A 84 0.760 -16.080 29.957 1.00 0.00 H ATOM 998 H ASP A 84 4.347 -15.853 30.271 1.00 0.00 H ATOM 999 N LEU A 85 2.691 -15.371 27.393 1.00 18.23 N ATOM 1000 CA LEU A 85 2.372 -14.946 26.006 1.00 20.33 C ATOM 1001 C LEU A 85 3.216 -15.597 24.919 1.00 19.26 C ATOM 1002 O LEU A 85 2.724 -15.862 23.838 1.00 19.61 O ATOM 1003 CB LEU A 85 2.326 -13.402 25.870 1.00 21.23 C ATOM 1004 CG LEU A 85 3.548 -12.531 25.576 1.00 24.13 C ATOM 1005 CD1 LEU A 85 3.139 -11.117 25.784 1.00 27.94 C ATOM 1006 CD2 LEU A 85 4.651 -12.821 26.525 1.00 25.32 C ATOM 1007 HA LEU A 85 1.367 -15.329 25.827 1.00 0.00 H ATOM 1008 HB2 LEU A 85 1.617 -13.197 25.067 1.00 0.00 H ATOM 1009 HB3 LEU A 85 1.921 -13.034 26.813 1.00 0.00 H ATOM 1010 HG LEU A 85 3.894 -12.725 24.561 1.00 0.00 H ATOM 1011 HD21 LEU A 85 4.315 -12.620 27.542 1.00 0.00 H ATOM 1012 HD22 LEU A 85 4.939 -13.868 26.436 1.00 0.00 H ATOM 1013 HD23 LEU A 85 5.506 -12.187 26.291 1.00 0.00 H ATOM 1014 HD11 LEU A 85 2.321 -10.873 25.106 1.00 0.00 H ATOM 1015 HD12 LEU A 85 2.810 -10.983 26.815 1.00 0.00 H ATOM 1016 HD13 LEU A 85 3.987 -10.462 25.583 1.00 0.00 H ATOM 1017 H LEU A 85 3.291 -14.762 27.985 1.00 0.00 H ATOM 1018 N PHE A 86 4.505 -15.836 25.195 1.00 19.66 N ATOM 1019 CA PHE A 86 5.371 -16.526 24.246 1.00 18.32 C ATOM 1020 C PHE A 86 5.145 -18.023 24.232 1.00 18.76 C ATOM 1021 O PHE A 86 5.432 -18.689 23.211 1.00 17.49 O ATOM 1022 CB PHE A 86 6.875 -16.216 24.498 1.00 19.32 C ATOM 1023 CG PHE A 86 7.354 -14.977 23.816 1.00 18.35 C ATOM 1024 CD1 PHE A 86 6.450 -14.091 23.241 1.00 19.35 C ATOM 1025 CD2 PHE A 86 8.723 -14.711 23.713 1.00 19.98 C ATOM 1026 CE1 PHE A 86 6.865 -12.951 22.606 1.00 18.40 C ATOM 1027 CE2 PHE A 86 9.155 -13.565 23.073 1.00 21.34 C ATOM 1028 CZ PHE A 86 8.238 -12.679 22.514 1.00 18.29 C ATOM 1029 HA PHE A 86 5.098 -16.139 23.264 1.00 0.00 H ATOM 1030 HB2 PHE A 86 7.028 -16.100 25.571 1.00 0.00 H ATOM 1031 HB3 PHE A 86 7.466 -17.058 24.137 1.00 0.00 H ATOM 1032 HD2 PHE A 86 9.448 -15.406 24.137 1.00 0.00 H ATOM 1033 HE2 PHE A 86 10.222 -13.353 23.005 1.00 0.00 H ATOM 1034 HZ PHE A 86 8.585 -11.779 22.007 1.00 0.00 H ATOM 1035 HE1 PHE A 86 6.137 -12.263 22.177 1.00 0.00 H ATOM 1036 HD1 PHE A 86 5.384 -14.309 23.297 1.00 0.00 H ATOM 1037 H PHE A 86 4.897 -15.523 26.106 1.00 0.00 H ATOM 1038 N GLY A 87 4.656 -18.561 25.351 1.00 17.33 N ATOM 1039 CA GLY A 87 4.343 -19.971 25.437 1.00 18.76 C ATOM 1040 C GLY A 87 5.539 -20.874 25.705 1.00 18.71 C ATOM 1041 O GLY A 87 5.435 -22.064 25.514 1.00 19.62 O ATOM 1042 HA3 GLY A 87 3.891 -20.277 24.493 1.00 0.00 H ATOM 1043 HA2 GLY A 87 3.624 -20.111 26.244 1.00 0.00 H ATOM 1044 H GLY A 87 4.496 -17.953 26.180 1.00 0.00 H ATOM 1045 N VAL A 88 6.657 -20.300 26.144 1.00 17.98 N ATOM 1046 CA VAL A 88 7.906 -21.032 26.488 1.00 18.30 C ATOM 1047 C VAL A 88 8.586 -20.361 27.703 1.00 17.72 C ATOM 1048 O VAL A 88 8.476 -19.145 27.861 1.00 18.14 O ATOM 1049 CB VAL A 88 8.962 -20.961 25.355 1.00 17.66 C ATOM 1050 CG1 VAL A 88 8.429 -21.488 24.040 1.00 18.63 C ATOM 1051 CG2 VAL A 88 9.438 -19.534 25.194 1.00 19.40 C ATOM 1052 HA VAL A 88 7.607 -22.063 26.675 1.00 0.00 H ATOM 1053 HB VAL A 88 9.798 -21.600 25.639 1.00 0.00 H ATOM 1054 HG11 VAL A 88 8.132 -22.530 24.161 1.00 0.00 H ATOM 1055 HG12 VAL A 88 7.566 -20.896 23.736 1.00 0.00 H ATOM 1056 HG13 VAL A 88 9.207 -21.417 23.279 1.00 0.00 H ATOM 1057 HG21 VAL A 88 8.591 -18.896 24.941 1.00 0.00 H ATOM 1058 HG22 VAL A 88 9.885 -19.194 26.128 1.00 0.00 H ATOM 1059 HG23 VAL A 88 10.180 -19.488 24.397 1.00 0.00 H ATOM 1060 H VAL A 88 6.658 -19.266 26.254 1.00 0.00 H ATOM 1061 N PRO A 89 9.348 -21.128 28.517 1.00 17.99 N ATOM 1062 CA PRO A 89 9.938 -20.517 29.681 1.00 18.32 C ATOM 1063 C PRO A 89 11.394 -20.115 29.479 1.00 17.76 C ATOM 1064 O PRO A 89 12.029 -19.717 30.453 1.00 17.82 O ATOM 1065 CB PRO A 89 9.861 -21.645 30.717 1.00 18.16 C ATOM 1066 CG PRO A 89 10.214 -22.859 29.880 1.00 19.29 C ATOM 1067 CD PRO A 89 9.641 -22.579 28.483 1.00 19.20 C ATOM 1068 HA PRO A 89 9.427 -19.594 29.954 1.00 0.00 H ATOM 1069 HD3 PRO A 89 10.371 -22.812 27.708 1.00 0.00 H ATOM 1070 HD2 PRO A 89 8.733 -23.157 28.310 1.00 0.00 H ATOM 1071 HG3 PRO A 89 9.764 -23.757 30.303 1.00 0.00 H ATOM 1072 HG2 PRO A 89 11.295 -22.985 29.830 1.00 0.00 H ATOM 1073 HB2 PRO A 89 10.580 -21.495 31.522 1.00 0.00 H ATOM 1074 HB3 PRO A 89 8.859 -21.730 31.138 1.00 0.00 H ATOM 1075 N SER A 90 11.886 -20.255 28.236 1.00 16.63 N ATOM 1076 CA SER A 90 13.188 -19.782 27.837 1.00 16.33 C ATOM 1077 C SER A 90 13.272 -19.614 26.310 1.00 16.53 C ATOM 1078 O SER A 90 12.479 -20.190 25.536 1.00 16.34 O ATOM 1079 CB SER A 90 14.308 -20.730 28.348 1.00 15.02 C ATOM 1080 OG SER A 90 14.279 -21.968 27.653 1.00 11.01 O ATOM 1081 HA SER A 90 13.339 -18.804 28.293 1.00 0.00 H ATOM 1082 HB2 SER A 90 14.162 -20.914 29.412 1.00 0.00 H ATOM 1083 HB3 SER A 90 15.277 -20.255 28.192 1.00 0.00 H ATOM 1084 HG SER A 90 13.402 -22.405 27.795 1.00 0.00 H ATOM 1085 H SER A 90 11.296 -20.730 27.524 1.00 0.00 H ATOM 1086 N PHE A 91 14.235 -18.808 25.862 1.00 17.20 N ATOM 1087 CA PHE A 91 14.536 -18.678 24.405 1.00 15.95 C ATOM 1088 C PHE A 91 15.799 -17.860 24.339 1.00 16.10 C ATOM 1089 O PHE A 91 16.287 -17.363 25.393 1.00 14.78 O ATOM 1090 CB PHE A 91 13.402 -17.956 23.647 1.00 16.29 C ATOM 1091 CG PHE A 91 13.167 -16.503 24.083 1.00 18.89 C ATOM 1092 CD1 PHE A 91 13.757 -15.431 23.367 1.00 17.41 C ATOM 1093 CD2 PHE A 91 12.329 -16.210 25.172 1.00 19.49 C ATOM 1094 CE1 PHE A 91 13.525 -14.114 23.726 1.00 19.83 C ATOM 1095 CE2 PHE A 91 12.091 -14.883 25.573 1.00 21.58 C ATOM 1096 CZ PHE A 91 12.692 -13.812 24.846 1.00 19.79 C ATOM 1097 HA PHE A 91 14.640 -19.657 23.938 1.00 0.00 H ATOM 1098 HB2 PHE A 91 13.648 -17.957 22.585 1.00 0.00 H ATOM 1099 HB3 PHE A 91 12.478 -18.513 23.806 1.00 0.00 H ATOM 1100 HD2 PHE A 91 11.854 -17.026 25.716 1.00 0.00 H ATOM 1101 HE2 PHE A 91 11.453 -14.674 26.432 1.00 0.00 H ATOM 1102 HZ PHE A 91 12.518 -12.777 25.142 1.00 0.00 H ATOM 1103 HE1 PHE A 91 13.979 -13.306 23.153 1.00 0.00 H ATOM 1104 HD1 PHE A 91 14.405 -15.648 22.518 1.00 0.00 H ATOM 1105 H PHE A 91 14.791 -18.255 26.545 1.00 0.00 H ATOM 1106 N SER A 92 16.327 -17.722 23.123 1.00 14.59 N ATOM 1107 CA SER A 92 17.576 -17.041 22.942 1.00 14.09 C ATOM 1108 C SER A 92 17.384 -15.919 21.973 1.00 14.03 C ATOM 1109 O SER A 92 16.726 -16.085 20.919 1.00 14.25 O ATOM 1110 CB SER A 92 18.676 -17.980 22.426 1.00 14.11 C ATOM 1111 OG SER A 92 19.772 -17.199 21.941 1.00 15.16 O ATOM 1112 HA SER A 92 17.896 -16.661 23.912 1.00 0.00 H ATOM 1113 HB2 SER A 92 18.281 -18.596 21.618 1.00 0.00 H ATOM 1114 HB3 SER A 92 19.017 -18.623 23.237 1.00 0.00 H ATOM 1115 HG SER A 92 20.483 -17.802 21.608 1.00 0.00 H ATOM 1116 H SER A 92 15.829 -18.112 22.298 1.00 0.00 H ATOM 1117 N VAL A 93 18.021 -14.790 22.268 1.00 14.41 N ATOM 1118 CA VAL A 93 17.816 -13.615 21.436 1.00 15.56 C ATOM 1119 C VAL A 93 18.419 -13.842 20.020 1.00 15.80 C ATOM 1120 O VAL A 93 18.151 -13.068 19.096 1.00 15.93 O ATOM 1121 CB VAL A 93 18.220 -12.292 22.132 1.00 15.76 C ATOM 1122 CG1 VAL A 93 17.493 -12.194 23.496 1.00 19.69 C ATOM 1123 CG2 VAL A 93 19.730 -12.169 22.318 1.00 17.82 C ATOM 1124 HA VAL A 93 16.745 -13.480 21.285 1.00 0.00 H ATOM 1125 HB VAL A 93 17.919 -11.465 21.489 1.00 0.00 H ATOM 1126 HG11 VAL A 93 16.415 -12.209 23.334 1.00 0.00 H ATOM 1127 HG12 VAL A 93 17.780 -13.040 24.121 1.00 0.00 H ATOM 1128 HG13 VAL A 93 17.774 -11.264 23.990 1.00 0.00 H ATOM 1129 HG21 VAL A 93 20.088 -12.996 22.932 1.00 0.00 H ATOM 1130 HG22 VAL A 93 20.218 -12.200 21.344 1.00 0.00 H ATOM 1131 HG23 VAL A 93 19.958 -11.224 22.810 1.00 0.00 H ATOM 1132 H VAL A 93 18.661 -14.747 23.087 1.00 0.00 H ATOM 1133 N LYS A 94 19.138 -14.945 19.855 1.00 15.83 N ATOM 1134 CA LYS A 94 19.724 -15.279 18.549 1.00 17.26 C ATOM 1135 C LYS A 94 18.663 -15.938 17.661 1.00 18.14 C ATOM 1136 O LYS A 94 18.862 -16.057 16.469 1.00 19.96 O ATOM 1137 CB LYS A 94 20.956 -16.179 18.699 1.00 17.20 C ATOM 1138 CG LYS A 94 22.163 -15.502 19.365 1.00 18.16 C ATOM 1139 CD LYS A 94 23.130 -16.527 19.927 1.00 19.86 C ATOM 1140 CE LYS A 94 24.336 -15.847 20.530 1.00 24.78 C ATOM 1141 NZ LYS A 94 25.464 -16.817 20.632 1.00 24.92 N ATOM 1142 HA LYS A 94 20.059 -14.357 18.074 1.00 0.00 H ATOM 1143 HB2 LYS A 94 20.675 -17.043 19.301 1.00 0.00 H ATOM 1144 HB3 LYS A 94 21.257 -16.512 17.706 1.00 0.00 H ATOM 1145 HG2 LYS A 94 22.682 -14.893 18.625 1.00 0.00 H ATOM 1146 HG3 LYS A 94 21.810 -14.865 20.176 1.00 0.00 H ATOM 1147 HD2 LYS A 94 22.626 -17.111 20.697 1.00 0.00 H ATOM 1148 HD3 LYS A 94 23.456 -17.190 19.125 1.00 0.00 H ATOM 1149 HE2 LYS A 94 24.084 -15.478 21.524 1.00 0.00 H ATOM 1150 HE3 LYS A 94 24.634 -15.010 19.898 1.00 0.00 H ATOM 1151 HZ1 LYS A 94 25.180 -17.615 21.236 1.00 0.00 H ATOM 1152 HZ2 LYS A 94 25.705 -17.168 19.683 1.00 0.00 H ATOM 1153 HZ3 LYS A 94 26.291 -16.343 21.048 1.00 0.00 H ATOM 1154 H LYS A 94 19.289 -15.583 20.662 1.00 0.00 H ATOM 1155 N GLU A 95 17.505 -16.285 18.223 1.00 17.66 N ATOM 1156 CA GLU A 95 16.518 -17.038 17.477 1.00 18.02 C ATOM 1157 C GLU A 95 15.512 -16.064 16.892 1.00 17.07 C ATOM 1158 O GLU A 95 14.323 -16.011 17.303 1.00 17.57 O ATOM 1159 CB GLU A 95 15.764 -18.040 18.382 1.00 19.14 C ATOM 1160 CG GLU A 95 16.480 -19.272 18.889 1.00 21.15 C ATOM 1161 CD GLU A 95 15.567 -20.146 19.835 1.00 24.77 C ATOM 1162 OE1 GLU A 95 15.336 -19.767 21.022 1.00 21.91 O ATOM 1163 OE2 GLU A 95 15.067 -21.225 19.390 1.00 25.84 O ATOM 1164 HA GLU A 95 17.031 -17.599 16.696 1.00 0.00 H ATOM 1165 HB2 GLU A 95 15.428 -17.485 19.258 1.00 0.00 H ATOM 1166 HB3 GLU A 95 14.897 -18.386 17.819 1.00 0.00 H ATOM 1167 HG2 GLU A 95 16.783 -19.878 18.035 1.00 0.00 H ATOM 1168 HG3 GLU A 95 17.365 -18.961 19.444 1.00 0.00 H ATOM 1169 H GLU A 95 17.308 -16.012 19.207 1.00 0.00 H ATOM 1170 N HIS A 96 15.939 -15.322 15.891 1.00 15.41 N ATOM 1171 CA HIS A 96 15.083 -14.289 15.321 1.00 15.06 C ATOM 1172 C HIS A 96 13.752 -14.832 14.817 1.00 14.47 C ATOM 1173 O HIS A 96 12.719 -14.274 15.168 1.00 14.48 O ATOM 1174 CB HIS A 96 15.775 -13.461 14.242 1.00 14.29 C ATOM 1175 CG HIS A 96 16.936 -12.642 14.725 1.00 16.85 C ATOM 1176 ND1 HIS A 96 17.637 -11.797 13.887 1.00 17.73 N ATOM 1177 CD2 HIS A 96 17.539 -12.556 15.941 1.00 17.50 C ATOM 1178 CE1 HIS A 96 18.615 -11.223 14.571 1.00 19.51 C ATOM 1179 NE2 HIS A 96 18.593 -11.688 15.811 1.00 20.82 N ATOM 1180 HA HIS A 96 14.868 -13.617 16.152 1.00 0.00 H ATOM 1181 HB2 HIS A 96 16.137 -14.142 13.472 1.00 0.00 H ATOM 1182 HB3 HIS A 96 15.039 -12.784 13.809 1.00 0.00 H ATOM 1183 HD2 HIS A 96 17.240 -13.079 16.849 1.00 0.00 H ATOM 1184 HE1 HIS A 96 19.320 -10.490 14.179 1.00 0.00 H ATOM 1185 H HIS A 96 16.893 -15.474 15.505 1.00 0.00 H ATOM 1186 N ARG A 97 13.779 -15.929 14.056 1.00 14.66 N ATOM 1187 CA ARG A 97 12.556 -16.552 13.493 1.00 15.94 C ATOM 1188 C ARG A 97 11.540 -17.022 14.520 1.00 16.48 C ATOM 1189 O ARG A 97 10.341 -16.760 14.383 1.00 14.45 O ATOM 1190 CB ARG A 97 12.892 -17.752 12.637 1.00 15.47 C ATOM 1191 CG ARG A 97 11.732 -18.263 11.811 1.00 16.96 C ATOM 1192 CD ARG A 97 12.229 -19.333 10.821 1.00 17.47 C ATOM 1193 NE ARG A 97 12.497 -20.605 11.485 1.00 16.84 N ATOM 1194 CZ ARG A 97 13.658 -21.222 11.565 1.00 17.64 C ATOM 1195 NH1 ARG A 97 14.749 -20.747 10.967 1.00 17.09 N ATOM 1196 NH2 ARG A 97 13.714 -22.384 12.207 1.00 18.11 N ATOM 1197 HA ARG A 97 12.109 -15.744 12.914 1.00 0.00 H ATOM 1198 HB2 ARG A 97 13.700 -17.475 11.960 1.00 0.00 H ATOM 1199 HB3 ARG A 97 13.228 -18.557 13.291 1.00 0.00 H ATOM 1200 HG2 ARG A 97 10.982 -18.700 12.471 1.00 0.00 H ATOM 1201 HG3 ARG A 97 11.289 -17.435 11.257 1.00 0.00 H ATOM 1202 HD2 ARG A 97 13.147 -18.980 10.351 1.00 0.00 H ATOM 1203 HD3 ARG A 97 11.467 -19.487 10.057 1.00 0.00 H ATOM 1204 HE ARG A 97 11.688 -21.072 11.942 1.00 0.00 H ATOM 1205 HH12 ARG A 97 15.651 -21.258 11.049 1.00 0.00 H ATOM 1206 HH11 ARG A 97 14.699 -19.865 10.418 1.00 0.00 H ATOM 1207 HH22 ARG A 97 14.618 -22.892 12.285 1.00 0.00 H ATOM 1208 HH21 ARG A 97 12.854 -22.785 12.632 1.00 0.00 H ATOM 1209 H ARG A 97 14.699 -16.367 13.849 1.00 0.00 H ATOM 1210 N LYS A 98 12.020 -17.734 15.542 1.00 17.11 N ATOM 1211 CA LYS A 98 11.118 -18.117 16.655 1.00 18.44 C ATOM 1212 C LYS A 98 10.545 -16.878 17.333 1.00 17.72 C ATOM 1213 O LYS A 98 9.359 -16.781 17.577 1.00 18.10 O ATOM 1214 CB LYS A 98 11.800 -19.058 17.667 1.00 18.26 C ATOM 1215 CG LYS A 98 12.321 -20.410 17.017 1.00 23.38 C ATOM 1216 CD LYS A 98 11.227 -21.488 16.987 1.00 29.90 C ATOM 1217 CE LYS A 98 11.562 -22.612 15.990 1.00 31.56 C ATOM 1218 NZ LYS A 98 12.587 -23.526 16.543 1.00 31.74 N ATOM 1219 HA LYS A 98 10.291 -18.682 16.225 1.00 0.00 H ATOM 1220 HB2 LYS A 98 12.650 -18.536 18.107 1.00 0.00 H ATOM 1221 HB3 LYS A 98 11.082 -19.304 18.449 1.00 0.00 H ATOM 1222 HG2 LYS A 98 12.646 -20.209 15.996 1.00 0.00 H ATOM 1223 HG3 LYS A 98 13.165 -20.780 17.600 1.00 0.00 H ATOM 1224 HD2 LYS A 98 11.127 -21.918 17.984 1.00 0.00 H ATOM 1225 HD3 LYS A 98 10.284 -21.026 16.695 1.00 0.00 H ATOM 1226 HE2 LYS A 98 11.939 -22.170 15.068 1.00 0.00 H ATOM 1227 HE3 LYS A 98 10.657 -23.180 15.776 1.00 0.00 H ATOM 1228 HZ1 LYS A 98 13.455 -22.990 16.745 1.00 0.00 H ATOM 1229 HZ2 LYS A 98 12.230 -23.954 17.421 1.00 0.00 H ATOM 1230 HZ3 LYS A 98 12.793 -24.274 15.850 1.00 0.00 H ATOM 1231 H LYS A 98 13.020 -18.018 15.558 1.00 0.00 H ATOM 1232 N ILE A 99 11.383 -15.884 17.582 1.00 18.36 N ATOM 1233 CA ILE A 99 10.910 -14.641 18.222 1.00 17.45 C ATOM 1234 C ILE A 99 9.849 -13.890 17.385 1.00 17.33 C ATOM 1235 O ILE A 99 8.831 -13.501 17.939 1.00 17.13 O ATOM 1236 CB ILE A 99 12.089 -13.767 18.667 1.00 17.05 C ATOM 1237 CG1 ILE A 99 12.760 -14.416 19.906 1.00 16.98 C ATOM 1238 CG2 ILE A 99 11.625 -12.365 19.003 1.00 16.04 C ATOM 1239 CD1 ILE A 99 14.160 -13.909 20.197 1.00 21.43 C ATOM 1240 HA ILE A 99 10.376 -14.924 19.129 1.00 0.00 H ATOM 1241 HB ILE A 99 12.808 -13.697 17.850 1.00 0.00 H ATOM 1242 HG12 ILE A 99 12.136 -14.215 20.777 1.00 0.00 H ATOM 1243 HG13 ILE A 99 12.814 -15.492 19.740 1.00 0.00 H ATOM 1244 HD11 ILE A 99 14.804 -14.113 19.342 1.00 0.00 H ATOM 1245 HD12 ILE A 99 14.126 -12.835 20.379 1.00 0.00 H ATOM 1246 HD13 ILE A 99 14.553 -14.416 21.079 1.00 0.00 H ATOM 1247 HG21 ILE A 99 11.167 -11.915 18.123 1.00 0.00 H ATOM 1248 HG22 ILE A 99 10.896 -12.409 19.812 1.00 0.00 H ATOM 1249 HG23 ILE A 99 12.480 -11.766 19.316 1.00 0.00 H ATOM 1250 H ILE A 99 12.386 -15.980 17.324 1.00 0.00 H ATOM 1251 N TYR A 100 10.055 -13.742 16.064 1.00 17.30 N ATOM 1252 CA TYR A 100 9.005 -13.151 15.234 1.00 17.45 C ATOM 1253 C TYR A 100 7.708 -13.971 15.227 1.00 18.03 C ATOM 1254 O TYR A 100 6.589 -13.419 15.333 1.00 18.60 O ATOM 1255 CB TYR A 100 9.505 -12.801 13.810 1.00 16.24 C ATOM 1256 CG TYR A 100 10.382 -11.547 13.814 1.00 15.90 C ATOM 1257 CD1 TYR A 100 9.834 -10.293 14.092 1.00 14.53 C ATOM 1258 CD2 TYR A 100 11.771 -11.639 13.607 1.00 10.81 C ATOM 1259 CE1 TYR A 100 10.640 -9.130 14.155 1.00 15.62 C ATOM 1260 CE2 TYR A 100 12.586 -10.473 13.659 1.00 17.53 C ATOM 1261 CZ TYR A 100 12.001 -9.231 13.934 1.00 13.29 C ATOM 1262 OH TYR A 100 12.817 -8.122 13.954 1.00 15.19 O ATOM 1263 HA TYR A 100 8.746 -12.204 15.708 1.00 0.00 H ATOM 1264 HB3 TYR A 100 8.644 -12.629 13.165 1.00 0.00 H ATOM 1265 HB2 TYR A 100 10.086 -13.638 13.423 1.00 0.00 H ATOM 1266 HD2 TYR A 100 12.226 -12.609 13.406 1.00 0.00 H ATOM 1267 HE2 TYR A 100 13.660 -10.547 13.486 1.00 0.00 H ATOM 1268 HE1 TYR A 100 10.190 -8.162 14.376 1.00 0.00 H ATOM 1269 HD1 TYR A 100 8.761 -10.207 14.265 1.00 0.00 H ATOM 1270 HH TYR A 100 13.247 -8.014 13.069 1.00 0.00 H ATOM 1271 H TYR A 100 10.953 -14.045 15.636 1.00 0.00 H ATOM 1272 N THR A 101 7.860 -15.287 15.161 1.00 19.05 N ATOM 1273 CA THR A 101 6.722 -16.189 15.090 1.00 20.37 C ATOM 1274 C THR A 101 5.953 -16.073 16.389 1.00 20.41 C ATOM 1275 O THR A 101 4.725 -15.958 16.360 1.00 20.15 O ATOM 1276 CB THR A 101 7.134 -17.631 14.762 1.00 21.53 C ATOM 1277 OG1 THR A 101 7.919 -17.629 13.559 1.00 20.82 O ATOM 1278 CG2 THR A 101 5.887 -18.524 14.526 1.00 23.52 C ATOM 1279 HA THR A 101 6.074 -15.900 14.263 1.00 0.00 H ATOM 1280 HB THR A 101 7.703 -18.027 15.603 1.00 0.00 H ATOM 1281 HG1 THR A 101 8.726 -17.072 13.694 1.00 0.00 H ATOM 1282 HG23 THR A 101 5.276 -18.539 15.429 1.00 0.00 H ATOM 1283 HG21 THR A 101 5.304 -18.120 13.698 1.00 0.00 H ATOM 1284 HG22 THR A 101 6.208 -19.538 14.286 1.00 0.00 H ATOM 1285 H THR A 101 8.821 -15.685 15.160 1.00 0.00 H ATOM 1286 N MET A 102 6.655 -16.047 17.520 1.00 20.26 N ATOM 1287 CA MET A 102 5.960 -15.844 18.810 1.00 21.39 C ATOM 1288 C MET A 102 5.285 -14.467 18.892 1.00 21.55 C ATOM 1289 O MET A 102 4.246 -14.319 19.540 1.00 21.97 O ATOM 1290 CB MET A 102 6.872 -16.105 20.010 1.00 21.64 C ATOM 1291 CG MET A 102 7.533 -17.522 20.014 1.00 24.24 C ATOM 1292 SD MET A 102 8.552 -17.963 21.479 1.00 25.89 S ATOM 1293 CE MET A 102 10.088 -17.135 21.029 1.00 24.87 C ATOM 1294 HA MET A 102 5.166 -16.590 18.853 1.00 0.00 H ATOM 1295 HB2 MET A 102 7.665 -15.357 20.007 1.00 0.00 H ATOM 1296 HB3 MET A 102 6.280 -16.001 20.919 1.00 0.00 H ATOM 1297 HG2 MET A 102 8.174 -17.589 19.135 1.00 0.00 H ATOM 1298 HG3 MET A 102 6.733 -18.258 19.936 1.00 0.00 H ATOM 1299 HE1 MET A 102 10.457 -17.543 20.088 1.00 0.00 H ATOM 1300 HE2 MET A 102 9.904 -16.067 20.916 1.00 0.00 H ATOM 1301 HE3 MET A 102 10.829 -17.297 21.812 1.00 0.00 H ATOM 1302 H MET A 102 7.688 -16.169 17.497 1.00 0.00 H ATOM 1303 N ILE A 103 5.854 -13.471 18.210 1.00 21.12 N ATOM 1304 CA ILE A 103 5.250 -12.150 18.163 1.00 21.04 C ATOM 1305 C ILE A 103 4.000 -12.078 17.280 1.00 21.11 C ATOM 1306 O ILE A 103 2.965 -11.623 17.741 1.00 19.52 O ATOM 1307 CB ILE A 103 6.298 -11.047 17.826 1.00 21.67 C ATOM 1308 CG1 ILE A 103 7.234 -10.867 19.046 1.00 21.07 C ATOM 1309 CG2 ILE A 103 5.632 -9.723 17.485 1.00 22.63 C ATOM 1310 CD1 ILE A 103 8.525 -10.030 18.780 1.00 18.55 C ATOM 1311 HA ILE A 103 4.889 -11.946 19.171 1.00 0.00 H ATOM 1312 HB ILE A 103 6.866 -11.360 16.950 1.00 0.00 H ATOM 1313 HG12 ILE A 103 6.668 -10.372 19.835 1.00 0.00 H ATOM 1314 HG13 ILE A 103 7.538 -11.857 19.386 1.00 0.00 H ATOM 1315 HD11 ILE A 103 9.117 -10.515 18.004 1.00 0.00 H ATOM 1316 HD12 ILE A 103 8.246 -9.028 18.453 1.00 0.00 H ATOM 1317 HD13 ILE A 103 9.110 -9.965 19.698 1.00 0.00 H ATOM 1318 HG21 ILE A 103 4.983 -9.856 16.619 1.00 0.00 H ATOM 1319 HG22 ILE A 103 5.040 -9.386 18.336 1.00 0.00 H ATOM 1320 HG23 ILE A 103 6.397 -8.981 17.256 1.00 0.00 H ATOM 1321 H ILE A 103 6.746 -13.643 17.703 1.00 0.00 H ATOM 1322 N TYR A 104 4.104 -12.551 16.032 1.00 21.55 N ATOM 1323 CA TYR A 104 2.982 -12.646 15.112 1.00 21.82 C ATOM 1324 C TYR A 104 1.780 -13.222 15.811 1.00 21.50 C ATOM 1325 O TYR A 104 0.669 -12.799 15.556 1.00 20.96 O ATOM 1326 CB TYR A 104 3.262 -13.691 14.036 1.00 21.82 C ATOM 1327 CG TYR A 104 4.155 -13.304 12.903 1.00 24.35 C ATOM 1328 CD1 TYR A 104 4.963 -12.167 12.948 1.00 25.48 C ATOM 1329 CD2 TYR A 104 4.216 -14.130 11.776 1.00 26.31 C ATOM 1330 CE1 TYR A 104 5.822 -11.867 11.880 1.00 28.18 C ATOM 1331 CE2 TYR A 104 5.044 -13.854 10.738 1.00 29.28 C ATOM 1332 CZ TYR A 104 5.830 -12.721 10.769 1.00 28.82 C ATOM 1333 OH TYR A 104 6.616 -12.512 9.679 1.00 30.98 O ATOM 1334 HA TYR A 104 2.825 -11.641 14.719 1.00 0.00 H ATOM 1335 HB3 TYR A 104 2.303 -13.983 13.609 1.00 0.00 H ATOM 1336 HB2 TYR A 104 3.716 -14.551 14.528 1.00 0.00 H ATOM 1337 HD2 TYR A 104 3.583 -15.016 11.731 1.00 0.00 H ATOM 1338 HE2 TYR A 104 5.088 -14.526 9.881 1.00 0.00 H ATOM 1339 HE1 TYR A 104 6.468 -10.990 11.914 1.00 0.00 H ATOM 1340 HD1 TYR A 104 4.927 -11.509 13.816 1.00 0.00 H ATOM 1341 HH TYR A 104 7.135 -11.678 9.803 1.00 0.00 H ATOM 1342 H TYR A 104 5.038 -12.868 15.703 1.00 0.00 H ATOM 1343 N ARG A 105 2.014 -14.284 16.579 1.00 21.68 N ATOM 1344 CA ARG A 105 0.955 -15.016 17.277 1.00 22.45 C ATOM 1345 C ARG A 105 0.264 -14.148 18.333 1.00 21.45 C ATOM 1346 O ARG A 105 -0.842 -14.428 18.726 1.00 21.69 O ATOM 1347 CB ARG A 105 1.536 -16.278 17.918 1.00 24.29 C ATOM 1348 CG ARG A 105 1.617 -17.475 16.981 1.00 27.62 C ATOM 1349 CD ARG A 105 2.320 -18.638 17.657 1.00 35.66 C ATOM 1350 NE ARG A 105 1.459 -19.451 18.523 1.00 41.11 N ATOM 1351 CZ ARG A 105 0.589 -20.390 18.116 1.00 45.75 C ATOM 1352 NH1 ARG A 105 0.374 -20.653 16.820 1.00 46.14 N ATOM 1353 NH2 ARG A 105 -0.109 -21.065 19.024 1.00 47.00 N ATOM 1354 HA ARG A 105 0.199 -15.297 16.544 1.00 0.00 H ATOM 1355 HB2 ARG A 105 2.542 -16.051 18.270 1.00 0.00 H ATOM 1356 HB3 ARG A 105 0.909 -16.550 18.767 1.00 0.00 H ATOM 1357 HG2 ARG A 105 0.609 -17.780 16.701 1.00 0.00 H ATOM 1358 HG3 ARG A 105 2.171 -17.193 16.086 1.00 0.00 H ATOM 1359 HD2 ARG A 105 3.133 -18.238 18.263 1.00 0.00 H ATOM 1360 HD3 ARG A 105 2.731 -19.285 16.882 1.00 0.00 H ATOM 1361 HE ARG A 105 1.529 -19.285 19.547 1.00 0.00 H ATOM 1362 HH12 ARG A 105 -0.308 -21.388 16.545 1.00 0.00 H ATOM 1363 HH11 ARG A 105 0.889 -20.122 16.089 1.00 0.00 H ATOM 1364 HH22 ARG A 105 -0.786 -21.795 18.723 1.00 0.00 H ATOM 1365 HH21 ARG A 105 0.022 -20.863 20.036 1.00 0.00 H ATOM 1366 H ARG A 105 2.996 -14.609 16.688 1.00 0.00 H ATOM 1367 N ASN A 106 0.930 -13.085 18.750 1.00 20.58 N ATOM 1368 CA ASN A 106 0.426 -12.116 19.739 1.00 21.17 C ATOM 1369 C ASN A 106 -0.003 -10.749 19.138 1.00 21.53 C ATOM 1370 O ASN A 106 -0.152 -9.741 19.836 1.00 20.80 O ATOM 1371 CB ASN A 106 1.496 -11.930 20.829 1.00 21.38 C ATOM 1372 CG ASN A 106 1.522 -13.080 21.791 1.00 20.49 C ATOM 1373 OD1 ASN A 106 0.607 -13.239 22.572 1.00 17.52 O ATOM 1374 ND2 ASN A 106 2.573 -13.883 21.750 1.00 17.35 N ATOM 1375 HA ASN A 106 -0.491 -12.529 20.160 1.00 0.00 H ATOM 1376 HB2 ASN A 106 2.473 -11.846 20.353 1.00 0.00 H ATOM 1377 HB3 ASN A 106 1.282 -11.014 21.380 1.00 0.00 H ATOM 1378 HD22 ASN A 106 3.334 -13.708 21.063 1.00 0.00 H ATOM 1379 HD21 ASN A 106 2.638 -14.689 22.404 1.00 0.00 H ATOM 1380 H ASN A 106 1.877 -12.921 18.352 1.00 0.00 H ATOM 1381 N LEU A 107 -0.197 -10.745 17.824 1.00 21.49 N ATOM 1382 CA LEU A 107 -0.667 -9.581 17.091 1.00 21.59 C ATOM 1383 C LEU A 107 -2.093 -9.784 16.627 1.00 22.05 C ATOM 1384 O LEU A 107 -2.521 -10.917 16.434 1.00 22.63 O ATOM 1385 CB LEU A 107 0.179 -9.412 15.866 1.00 20.75 C ATOM 1386 CG LEU A 107 1.585 -8.972 16.228 1.00 20.43 C ATOM 1387 CD1 LEU A 107 2.255 -8.577 14.962 1.00 21.92 C ATOM 1388 CD2 LEU A 107 1.517 -7.848 17.226 1.00 20.22 C ATOM 1389 HA LEU A 107 -0.610 -8.712 17.746 1.00 0.00 H ATOM 1390 HB2 LEU A 107 0.229 -10.362 15.334 1.00 0.00 H ATOM 1391 HB3 LEU A 107 -0.275 -8.659 15.221 1.00 0.00 H ATOM 1392 HG LEU A 107 2.160 -9.769 16.699 1.00 0.00 H ATOM 1393 HD21 LEU A 107 0.974 -7.009 16.790 1.00 0.00 H ATOM 1394 HD22 LEU A 107 1.000 -8.191 18.123 1.00 0.00 H ATOM 1395 HD23 LEU A 107 2.528 -7.533 17.485 1.00 0.00 H ATOM 1396 HD11 LEU A 107 2.280 -9.430 14.284 1.00 0.00 H ATOM 1397 HD12 LEU A 107 1.702 -7.760 14.499 1.00 0.00 H ATOM 1398 HD13 LEU A 107 3.273 -8.252 15.177 1.00 0.00 H ATOM 1399 H LEU A 107 -0.003 -11.618 17.293 1.00 0.00 H TER 1400 LEU A 107 HETATM 1401 O HOH 1 21.366 -3.378 29.823 1.00 15.53 O HETATM 1402 O HOH 2 24.222 -1.454 23.159 1.00 28.24 O HETATM 1403 O HOH 3 23.045 -5.785 17.496 1.00 51.05 O HETATM 1404 O HOH 4 24.535 -12.149 22.395 1.00 40.49 O HETATM 1405 O HOH 5 25.809 -12.679 24.641 1.00 15.97 O HETATM 1406 O HOH 6 15.283 -15.015 34.989 1.00 34.58 O HETATM 1407 O HOH 7 15.786 -8.715 39.147 1.00 26.09 O HETATM 1408 O HOH 8 6.377 -1.933 11.813 1.00 20.15 O HETATM 1409 O HOH 9 12.611 -16.198 35.294 1.00 36.53 O HETATM 1410 O HOH 10 13.131 -23.664 29.834 1.00 13.77 O HETATM 1411 O HOH 11 9.764 -3.734 34.217 1.00 27.47 O HETATM 1412 O HOH 12 -3.847 -3.418 20.869 1.00 20.05 O HETATM 1413 O HOH 13 9.401 -1.446 12.367 1.00 18.09 O HETATM 1414 O HOH 14 5.064 -1.612 35.543 1.00 26.84 O HETATM 1415 O HOH 15 18.662 -23.225 8.109 1.00 13.76 O HETATM 1416 O HOH 16 4.548 -11.696 35.212 1.00 18.25 O HETATM 1417 O HOH 17 2.355 2.810 29.515 1.00 35.04 O HETATM 1418 O HOH 18 9.115 2.758 14.675 1.00 28.04 O HETATM 1419 O HOH 19 -0.003 3.605 31.516 1.00 35.21 O HETATM 1420 O HOH 20 17.646 -2.681 34.359 1.00 36.70 O HETATM 1421 O HOH 21 11.699 -23.445 13.472 1.00 22.23 O HETATM 1422 O HOH 22 19.532 -18.906 15.972 1.00 28.86 O HETATM 1423 O HOH 23 3.072 3.847 17.796 1.00 17.30 O HETATM 1424 O HOH 24 13.827 -21.040 32.258 1.00 25.46 O HETATM 1425 O HOH 25 -3.482 -12.038 24.553 1.00 19.49 O HETATM 1426 O HOH 26 11.156 -19.485 36.499 1.00 25.07 O HETATM 1427 O HOH 27 -1.036 -11.440 23.696 1.00 17.25 O HETATM 1428 O HOH 28 -3.816 5.233 26.859 1.00 33.63 O HETATM 1429 O HOH 29 20.913 -7.789 35.259 1.00 33.39 O HETATM 1430 O HOH 30 8.719 -20.498 13.829 1.00 25.21 O HETATM 1431 O HOH 31 17.570 -11.832 37.055 1.00 18.64 O HETATM 1432 O HOH 32 -3.824 -5.499 27.852 1.00 26.68 O HETATM 1433 O HOH 33 17.292 -22.401 10.308 1.00 24.12 O HETATM 1434 O HOH 34 -0.453 -20.605 14.363 1.00 41.61 O HETATM 1435 O HOH 35 4.942 -8.815 34.447 1.00 28.27 O HETATM 1436 O HOH 36 2.523 -1.997 35.716 1.00 37.38 O HETATM 1437 O HOH 37 29.538 -19.289 26.347 1.00 31.29 O HETATM 1438 O HOH 38 0.793 -2.884 31.916 1.00 28.64 O HETATM 1439 O HOH 39 -1.983 -13.233 14.865 1.00 33.49 O HETATM 1440 O HOH 40 20.617 -14.973 15.307 1.00 39.39 O HETATM 1441 O HOH 41 15.280 -21.138 16.466 1.00 40.81 O HETATM 1442 O HOH 42 13.466 -20.488 34.790 1.00 44.44 O HETATM 1443 O HOH 43 -5.332 -7.805 16.758 1.00 29.21 O HETATM 1444 O HOH 44 27.026 -13.196 28.205 1.00 18.39 O HETATM 1445 O HOH 45 21.306 -18.934 20.760 1.00 22.43 O HETATM 1446 O HOH 46 7.003 0.457 10.446 1.00 37.36 O HETATM 1447 O HOH 47 -4.837 -9.008 29.667 1.00 33.75 O HETATM 1448 O HOH 48 0.063 0.085 8.947 1.00 26.50 O HETATM 1449 O HOH 49 0.141 -14.734 11.718 1.00 29.48 O HETATM 1450 O HOH 50 23.164 -17.864 35.076 1.00 34.67 O HETATM 1451 O HOH 51 -2.693 -13.496 11.615 1.00 35.23 O HETATM 1452 O HOH 52 14.251 2.617 11.944 1.00 30.96 O HETATM 1453 O HOH 53 -2.614 -2.142 12.385 1.00 32.84 O HETATM 1454 O HOH 54 14.028 2.033 9.535 1.00 24.10 O HETATM 1455 O HOH 55 17.274 1.113 27.335 1.00 33.19 O HETATM 1456 N DAS A 56 26.627 -2.222 27.236 1.00 0.24 N HETATM 1457 CA DAS A 56 25.273 -1.861 27.816 1.00 0.08 C HETATM 1458 C DAS A 56 24.178 -2.045 26.779 1.00 0.23 C HETATM 1459 O DAS A 56 24.474 -2.490 25.685 1.00 -0.39 O HETATM 1460 N DAS A 56 22.934 -1.706 27.119 1.00 -0.26 N HETATM 1461 CA DAS A 56 21.785 -1.890 26.197 1.00 0.14 C HETATM 1462 CB DAS A 56 20.524 -1.213 26.778 1.00 0.00 C HETATM 1463 CG DAS A 56 19.430 -0.940 25.779 1.00 -0.04 C HETATM 1464 CD1 DAS A 56 19.241 0.219 25.061 1.00 0.02 C HETATM 1465 NE1 DAS A 56 18.121 0.112 24.274 1.00 -0.29 N HETATM 1466 CE2 DAS A 56 17.573 -1.131 24.450 1.00 0.06 C HETATM 1467 CZ2 DAS A 56 16.438 -1.702 23.852 1.00 -0.04 C HETATM 1468 CH2 DAS A 56 16.098 -2.983 24.219 1.00 -0.08 C HETATM 1469 CZ3 DAS A 56 16.851 -3.689 25.179 1.00 -0.08 C HETATM 1470 CE3 DAS A 56 17.994 -3.125 25.773 1.00 -0.07 C HETATM 1471 CD2 DAS A 56 18.366 -1.823 25.395 1.00 -0.02 C HETATM 1472 H16 DAS A 56 18.573 -3.679 26.503 1.00 0.05 H HETATM 1473 H15 DAS A 56 16.542 -4.688 25.465 1.00 0.05 H HETATM 1474 H14 DAS A 56 15.237 -3.458 23.763 1.00 0.05 H HETATM 1475 H13 DAS A 56 15.850 -1.152 23.126 1.00 0.05 H HETATM 1476 H12 DAS A 56 17.753 0.847 23.653 1.00 0.22 H HETATM 1477 H11 DAS A 56 19.887 1.095 25.110 1.00 0.08 H HETATM 1478 H9 DAS A 56 20.826 -0.254 27.224 1.00 0.04 H HETATM 1479 H10 DAS A 56 20.115 -1.868 27.561 1.00 0.04 H HETATM 1480 C DAS A 56 21.528 -3.374 25.888 1.00 0.21 C HETATM 1481 O DAS A 56 21.514 -3.817 24.704 1.00 -0.39 O HETATM 1482 N DAS A 56 21.343 -4.144 26.954 1.00 -0.26 N HETATM 1483 CA DAS A 56 21.070 -5.569 26.797 1.00 0.14 C HETATM 1484 CB DAS A 56 20.249 -6.092 27.995 1.00 0.00 C HETATM 1485 CG DAS A 56 19.940 -7.501 27.779 1.00 -0.04 C HETATM 1486 CD1 DAS A 56 20.728 -8.584 28.085 1.00 0.02 C HETATM 1487 NE1 DAS A 56 20.119 -9.740 27.650 1.00 -0.29 N HETATM 1488 CE2 DAS A 56 18.953 -9.404 27.007 1.00 0.06 C HETATM 1489 CZ2 DAS A 56 17.994 -10.223 26.385 1.00 -0.04 C HETATM 1490 CH2 DAS A 56 16.911 -9.603 25.814 1.00 -0.08 C HETATM 1491 CZ3 DAS A 56 16.746 -8.194 25.861 1.00 -0.08 C HETATM 1492 CE3 DAS A 56 17.693 -7.392 26.462 1.00 -0.07 C HETATM 1493 CD2 DAS A 56 18.818 -8.001 27.062 1.00 -0.02 C HETATM 1494 H26 DAS A 56 17.577 -6.314 26.474 1.00 0.05 H HETATM 1495 H25 DAS A 56 15.865 -7.743 25.419 1.00 0.05 H HETATM 1496 H24 DAS A 56 16.162 -10.206 25.314 1.00 0.05 H HETATM 1497 H23 DAS A 56 18.106 -11.301 26.358 1.00 0.05 H HETATM 1498 H22 DAS A 56 20.478 -10.696 27.784 1.00 0.22 H HETATM 1499 H21 DAS A 56 21.689 -8.536 28.595 1.00 0.08 H HETATM 1500 H19 DAS A 56 19.314 -5.518 28.080 1.00 0.04 H HETATM 1501 H20 DAS A 56 20.834 -5.980 28.920 1.00 0.04 H HETATM 1502 C DAS A 56 22.358 -6.389 26.696 1.00 0.21 C HETATM 1503 O DAS A 56 23.269 -6.136 27.463 1.00 -0.39 O HETATM 1504 N DAS A 56 22.457 -7.351 25.745 1.00 -0.25 N HETATM 1505 CA DAS A 56 21.701 -7.716 24.561 1.00 0.13 C HETATM 1506 CB DAS A 56 21.592 -9.172 24.599 1.00 -0.01 C HETATM 1507 CG DAS A 56 23.173 -9.410 24.773 1.00 -0.03 C HETATM 1508 CD DAS A 56 23.626 -8.262 25.795 1.00 0.04 C HETATM 1509 H32 DAS A 56 23.781 -8.663 26.808 1.00 0.05 H HETATM 1510 H33 DAS A 56 24.543 -7.759 25.455 1.00 0.05 H HETATM 1511 H30 DAS A 56 23.693 -9.304 23.810 1.00 0.03 H HETATM 1512 H31 DAS A 56 23.375 -10.407 25.191 1.00 0.03 H HETATM 1513 H28 DAS A 56 21.191 -9.599 23.668 1.00 0.03 H HETATM 1514 H29 DAS A 56 21.004 -9.539 25.453 1.00 0.03 H HETATM 1515 C DAS A 56 21.608 -6.946 23.260 1.00 0.20 C HETATM 1516 O DAS A 56 20.626 -7.049 22.510 1.00 -0.39 O HETATM 1517 N DAS A 56 22.742 -6.326 22.944 1.00 -0.26 N HETATM 1518 CA DAS A 56 23.066 -5.976 21.566 1.00 0.13 C HETATM 1519 CB DAS A 56 24.485 -5.391 21.472 1.00 -0.01 C HETATM 1520 CG DAS A 56 25.560 -6.485 21.665 1.00 -0.04 C HETATM 1521 CD1 DAS A 56 25.205 -7.738 20.886 1.00 -0.06 C HETATM 1522 H39 DAS A 56 25.984 -8.499 21.040 1.00 0.02 H HETATM 1523 H40 DAS A 56 25.135 -7.497 19.815 1.00 0.02 H HETATM 1524 H41 DAS A 56 24.238 -8.127 21.238 1.00 0.02 H HETATM 1525 CD2 DAS A 56 26.973 -6.019 21.278 1.00 -0.06 C HETATM 1526 H42 DAS A 56 27.227 -5.111 21.844 1.00 0.02 H HETATM 1527 H43 DAS A 56 27.005 -5.800 20.201 1.00 0.02 H HETATM 1528 H44 DAS A 56 27.698 -6.812 21.513 1.00 0.02 H HETATM 1529 H38 DAS A 56 25.577 -6.743 22.734 1.00 0.03 H HETATM 1530 H36 DAS A 56 24.609 -4.626 22.252 1.00 0.03 H HETATM 1531 H37 DAS A 56 24.617 -4.930 20.482 1.00 0.03 H HETATM 1532 C DAS A 56 22.154 -4.971 20.968 1.00 0.20 C HETATM 1533 O DAS A 56 21.997 -4.921 19.714 1.00 -0.39 O HETATM 1534 N DAS A 56 21.609 -4.111 21.805 1.00 -0.26 N HETATM 1535 CA DAS A 56 20.629 -3.114 21.354 1.00 0.13 C HETATM 1536 CB DAS A 56 20.397 -2.030 22.426 1.00 -0.02 C HETATM 1537 H47 DAS A 56 19.660 -1.302 22.057 1.00 0.03 H HETATM 1538 H48 DAS A 56 21.346 -1.516 22.639 1.00 0.03 H HETATM 1539 H49 DAS A 56 20.020 -2.499 23.346 1.00 0.03 H HETATM 1540 C DAS A 56 19.296 -3.767 20.970 1.00 0.20 C HETATM 1541 O DAS A 56 18.601 -3.302 20.047 1.00 -0.39 O HETATM 1542 N DAS A 56 18.963 -4.863 21.642 1.00 -0.26 N HETATM 1543 CA DAS A 56 17.731 -5.636 21.326 1.00 0.14 C HETATM 1544 C DAS A 56 17.995 -6.487 20.113 1.00 0.21 C HETATM 1545 O DAS A 56 17.128 -6.627 19.269 1.00 -0.39 O HETATM 1546 N DAS A 56 19.205 -7.046 20.013 1.00 -0.26 N HETATM 1547 CA DAS A 56 19.581 -7.804 18.839 1.00 0.13 C HETATM 1548 C DAS A 56 19.608 -6.903 17.604 1.00 0.20 C HETATM 1549 O DAS A 56 19.255 -7.357 16.523 1.00 -0.39 O HETATM 1550 N DAS A 56 20.026 -5.641 17.757 1.00 -0.26 N HETATM 1551 CA DAS A 56 20.029 -4.664 16.631 1.00 0.13 C HETATM 1552 CB DAS A 56 20.658 -3.389 17.012 1.00 -0.02 C HETATM 1553 H67 DAS A 56 20.639 -2.700 16.155 1.00 0.03 H HETATM 1554 H68 DAS A 56 21.700 -3.570 17.314 1.00 0.03 H HETATM 1555 H69 DAS A 56 20.105 -2.944 17.852 1.00 0.03 H HETATM 1556 C DAS A 56 18.589 -4.422 16.205 1.00 0.20 C HETATM 1557 O DAS A 56 18.272 -4.368 15.001 1.00 -0.39 O HETATM 1558 N DAS A 56 17.697 -4.320 17.185 1.00 -0.26 N HETATM 1559 CA DAS A 56 16.261 -4.217 16.844 1.00 0.13 C HETATM 1560 CB DAS A 56 15.334 -4.106 18.077 1.00 -0.01 C HETATM 1561 CG DAS A 56 15.569 -2.729 18.702 1.00 -0.04 C HETATM 1562 CD1 DAS A 56 15.145 -1.598 17.765 1.00 -0.06 C HETATM 1563 H75 DAS A 56 15.331 -0.629 18.252 1.00 0.02 H HETATM 1564 H76 DAS A 56 14.073 -1.694 17.536 1.00 0.02 H HETATM 1565 H77 DAS A 56 15.726 -1.657 16.833 1.00 0.02 H HETATM 1566 CD2 DAS A 56 14.850 -2.539 20.050 1.00 -0.06 C HETATM 1567 H78 DAS A 56 15.143 -3.345 20.739 1.00 0.02 H HETATM 1568 H79 DAS A 56 13.762 -2.569 19.893 1.00 0.02 H HETATM 1569 H80 DAS A 56 15.131 -1.567 20.482 1.00 0.02 H HETATM 1570 H74 DAS A 56 16.650 -2.636 18.882 1.00 0.03 H HETATM 1571 H72 DAS A 56 15.578 -4.895 18.803 1.00 0.03 H HETATM 1572 H73 DAS A 56 14.283 -4.204 17.768 1.00 0.03 H HETATM 1573 C DAS A 56 15.737 -5.340 16.009 1.00 0.20 C HETATM 1574 O DAS A 56 15.022 -5.102 15.020 1.00 -0.39 O HETATM 1575 N DAS A 56 16.082 -6.569 16.399 1.00 -0.26 N HETATM 1576 CA DAS A 56 15.538 -7.746 15.787 1.00 0.13 C HETATM 1577 CB DAS A 56 15.960 -9.001 16.554 1.00 -0.01 C HETATM 1578 CG DAS A 56 15.095 -9.576 17.676 1.00 -0.04 C HETATM 1579 CD1 DAS A 56 14.650 -8.574 18.718 1.00 -0.06 C HETATM 1580 H86 DAS A 56 14.037 -9.082 19.477 1.00 0.02 H HETATM 1581 H87 DAS A 56 14.056 -7.783 18.236 1.00 0.02 H HETATM 1582 H88 DAS A 56 15.533 -8.128 19.198 1.00 0.02 H HETATM 1583 CD2 DAS A 56 13.871 -10.263 17.104 1.00 -0.06 C HETATM 1584 H89 DAS A 56 14.183 -10.995 16.344 1.00 0.02 H HETATM 1585 H90 DAS A 56 13.212 -9.513 16.642 1.00 0.02 H HETATM 1586 H91 DAS A 56 13.330 -10.780 17.910 1.00 0.02 H HETATM 1587 H85 DAS A 56 15.703 -10.334 18.192 1.00 0.03 H HETATM 1588 H83 DAS A 56 16.940 -8.778 17.000 1.00 0.03 H HETATM 1589 H84 DAS A 56 16.071 -9.800 15.806 1.00 0.03 H HETATM 1590 C DAS A 56 16.065 -7.783 14.358 1.00 0.20 C HETATM 1591 O DAS A 56 15.376 -8.261 13.453 1.00 -0.39 O HETATM 1592 N DAS A 56 17.277 -7.260 14.163 1.00 -0.27 N HETATM 1593 CA DAS A 56 17.905 -7.253 12.862 1.00 0.09 C HETATM 1594 CB DAS A 56 19.441 -7.226 13.083 1.00 -0.01 C HETATM 1595 CG DAS A 56 20.099 -6.843 11.766 1.00 -0.02 C HETATM 1596 CD DAS A 56 21.617 -7.035 11.800 1.00 0.06 C HETATM 1597 NE DAS A 56 21.856 -7.853 10.600 1.00 -0.27 N HETATM 1598 CZ DAS A 56 22.519 -9.032 10.494 1.00 0.29 C HETATM 1599 NH1 DAS A 56 23.078 -9.594 11.572 1.00 -0.28 N HETATM 1600 H101 DAS A 56 23.580 -10.489 11.484 1.00 0.26 H HETATM 1601 H102 DAS A 56 23.006 -9.131 12.489 1.00 0.26 H HETATM 1602 NH2 DAS A 56 22.633 -9.665 9.320 1.00 -0.28 N HETATM 1603 H103 DAS A 56 22.213 -9.257 8.472 1.00 0.26 H HETATM 1604 H104 DAS A 56 23.140 -10.560 9.264 1.00 0.26 H HETATM 1605 H100 DAS A 56 21.467 -7.480 9.722 1.00 0.26 H HETATM 1606 H98 DAS A 56 21.931 -7.564 12.712 1.00 0.07 H HETATM 1607 H99 DAS A 56 22.142 -6.071 11.736 1.00 0.07 H HETATM 1608 H96 DAS A 56 19.881 -5.786 11.555 1.00 0.03 H HETATM 1609 H97 DAS A 56 19.681 -7.471 10.965 1.00 0.03 H HETATM 1610 H94 DAS A 56 19.790 -8.220 13.399 1.00 0.03 H HETATM 1611 H95 DAS A 56 19.694 -6.485 13.856 1.00 0.03 H HETATM 1612 C DAS A 56 17.299 -6.178 11.980 1.00 0.06 C HETATM 1613 O DAS A 56 16.891 -6.427 10.847 1.00 -0.57 O HETATM 1614 OXT DAS A 56 17.113 -4.999 12.342 1.00 -0.57 O HETATM 1615 H93 DAS A 56 17.677 -8.210 12.371 1.00 0.07 H HETATM 1616 H92 DAS A 56 17.765 -6.861 14.940 1.00 0.19 H HETATM 1617 H82 DAS A 56 14.440 -7.686 15.777 1.00 0.08 H HETATM 1618 H81 DAS A 56 16.742 -6.672 17.143 1.00 0.19 H HETATM 1619 H71 DAS A 56 16.151 -3.292 16.260 1.00 0.08 H HETATM 1620 H70 DAS A 56 17.993 -4.313 18.140 1.00 0.19 H HETATM 1621 H66 DAS A 56 20.590 -5.094 15.788 1.00 0.08 H HETATM 1622 H65 DAS A 56 20.347 -5.343 18.656 1.00 0.19 H HETATM 1623 CB DAS A 56 20.999 -8.379 19.104 1.00 -0.00 C HETATM 1624 CG DAS A 56 20.924 -9.629 19.998 1.00 0.00 C HETATM 1625 CD DAS A 56 22.296 -10.181 20.285 1.00 0.04 C HETATM 1626 OE1 DAS A 56 22.864 -9.910 21.381 1.00 -0.57 O HETATM 1627 OE2 DAS A 56 22.794 -10.887 19.391 1.00 -0.57 O HETATM 1628 H63 DAS A 56 20.328 -10.399 19.487 1.00 0.04 H HETATM 1629 H64 DAS A 56 20.440 -9.361 20.949 1.00 0.04 H HETATM 1630 H61 DAS A 56 21.610 -7.614 19.605 1.00 0.03 H HETATM 1631 H62 DAS A 56 21.463 -8.649 18.144 1.00 0.03 H HETATM 1632 H60 DAS A 56 18.866 -8.624 18.677 1.00 0.08 H HETATM 1633 H59 DAS A 56 19.860 -6.939 20.761 1.00 0.19 H HETATM 1634 CB DAS A 56 17.340 -6.562 22.479 1.00 0.02 C HETATM 1635 CG DAS A 56 16.064 -7.366 22.226 1.00 -0.04 C HETATM 1636 CD1 DAS A 56 16.057 -8.741 22.350 1.00 -0.06 C HETATM 1637 CE1 DAS A 56 14.877 -9.485 22.125 1.00 -0.07 C HETATM 1638 CZ DAS A 56 13.702 -8.845 21.753 1.00 -0.07 C HETATM 1639 CE2 DAS A 56 13.705 -7.469 21.607 1.00 -0.07 C HETATM 1640 CD2 DAS A 56 14.896 -6.732 21.871 1.00 -0.06 C HETATM 1641 H55 DAS A 56 14.881 -5.651 21.791 1.00 0.06 H HETATM 1642 H57 DAS A 56 12.805 -6.953 21.293 1.00 0.06 H HETATM 1643 H58 DAS A 56 12.796 -9.415 21.580 1.00 0.06 H HETATM 1644 H56 DAS A 56 14.889 -10.562 22.244 1.00 0.06 H HETATM 1645 H54 DAS A 56 16.970 -9.257 22.624 1.00 0.06 H HETATM 1646 H52 DAS A 56 17.189 -5.949 23.380 1.00 0.05 H HETATM 1647 H53 DAS A 56 18.166 -7.268 22.651 1.00 0.05 H HETATM 1648 H51 DAS A 56 16.906 -4.938 21.123 1.00 0.08 H HETATM 1649 H50 DAS A 56 19.557 -5.178 22.382 1.00 0.19 H HETATM 1650 H46 DAS A 56 21.038 -2.624 20.458 1.00 0.08 H HETATM 1651 H45 DAS A 56 21.869 -4.138 22.770 1.00 0.19 H HETATM 1652 H35 DAS A 56 23.014 -6.896 20.966 1.00 0.08 H HETATM 1653 H34 DAS A 56 23.389 -6.094 23.670 1.00 0.19 H HETATM 1654 H27 DAS A 56 20.696 -7.445 24.918 1.00 0.08 H HETATM 1655 H18 DAS A 56 20.488 -5.711 25.874 1.00 0.08 H HETATM 1656 H17 DAS A 56 21.391 -3.745 27.870 1.00 0.19 H HETATM 1657 H8 DAS A 56 22.031 -1.391 25.248 1.00 0.08 H HETATM 1658 H7 DAS A 56 22.770 -1.315 28.025 1.00 0.19 H HETATM 1659 CB DAS A 56 24.933 -2.802 28.940 1.00 0.06 C HETATM 1660 CG DAS A 56 25.842 -2.546 30.109 1.00 0.04 C HETATM 1661 OD1 DAS A 56 25.322 -2.647 31.248 1.00 -0.57 O HETATM 1662 OD2 DAS A 56 27.041 -2.250 29.918 1.00 -0.57 O HETATM 1663 H5 DAS A 56 25.060 -3.840 28.599 1.00 0.05 H HETATM 1664 H6 DAS A 56 23.889 -2.642 29.247 1.00 0.05 H HETATM 1665 H4 DAS A 56 25.291 -0.821 28.174 1.00 0.11 H HETATM 1666 H1 DAS A 56 27.338 -2.093 27.938 1.00 0.20 H HETATM 1667 H2 DAS A 56 26.823 -1.628 26.446 1.00 0.20 H HETATM 1668 H3 DAS A 56 26.619 -3.185 26.938 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1456 1457 1666 1667 1668 CONECT 1457 1456 1458 1659 1665 CONECT 1458 1457 1459 1460 CONECT 1459 1458 CONECT 1460 1458 1461 1658 CONECT 1461 1460 1462 1480 1657 CONECT 1462 1461 1463 1478 1479 CONECT 1463 1462 1464 1471 CONECT 1464 1463 1465 1477 CONECT 1465 1464 1466 1476 CONECT 1466 1465 1467 1471 CONECT 1467 1466 1468 1475 CONECT 1468 1467 1469 1474 CONECT 1469 1468 1470 1473 CONECT 1470 1469 1471 1472 CONECT 1471 1463 1466 1470 CONECT 1472 1470 CONECT 1473 1469 CONECT 1474 1468 CONECT 1475 1467 CONECT 1476 1465 CONECT 1477 1464 CONECT 1478 1462 CONECT 1479 1462 CONECT 1480 1461 1481 1482 CONECT 1481 1480 CONECT 1482 1480 1483 1656 CONECT 1483 1482 1484 1502 1655 CONECT 1484 1483 1485 1500 1501 CONECT 1485 1484 1486 1493 CONECT 1486 1485 1487 1499 CONECT 1487 1486 1488 1498 CONECT 1488 1487 1489 1493 CONECT 1489 1488 1490 1497 CONECT 1490 1489 1491 1496 CONECT 1491 1490 1492 1495 CONECT 1492 1491 1493 1494 CONECT 1493 1485 1488 1492 CONECT 1494 1492 CONECT 1495 1491 CONECT 1496 1490 CONECT 1497 1489 CONECT 1498 1487 CONECT 1499 1486 CONECT 1500 1484 CONECT 1501 1484 CONECT 1502 1483 1503 1504 CONECT 1503 1502 CONECT 1504 1502 1505 1508 CONECT 1505 1504 1506 1515 1654 CONECT 1506 1505 1507 1513 1514 CONECT 1507 1506 1508 1511 1512 CONECT 1508 1504 1507 1509 1510 CONECT 1509 1508 CONECT 1510 1508 CONECT 1511 1507 CONECT 1512 1507 CONECT 1513 1506 CONECT 1514 1506 CONECT 1515 1505 1516 1517 CONECT 1516 1515 CONECT 1517 1515 1518 1653 CONECT 1518 1517 1519 1532 1652 CONECT 1519 1518 1520 1530 1531 CONECT 1520 1519 1521 1525 1529 CONECT 1521 1520 1522 1523 1524 CONECT 1522 1521 CONECT 1523 1521 CONECT 1524 1521 CONECT 1525 1520 1526 1527 1528 CONECT 1526 1525 CONECT 1527 1525 CONECT 1528 1525 CONECT 1529 1520 CONECT 1530 1519 CONECT 1531 1519 CONECT 1532 1518 1533 1534 CONECT 1533 1532 CONECT 1534 1532 1535 1651 CONECT 1535 1534 1536 1540 1650 CONECT 1536 1535 1537 1538 1539 CONECT 1537 1536 CONECT 1538 1536 CONECT 1539 1536 CONECT 1540 1535 1541 1542 CONECT 1541 1540 CONECT 1542 1540 1543 1649 CONECT 1543 1542 1544 1634 1648 CONECT 1544 1543 1545 1546 CONECT 1545 1544 CONECT 1546 1544 1547 1633 CONECT 1547 1546 1548 1623 1632 CONECT 1548 1547 1549 1550 CONECT 1549 1548 CONECT 1550 1548 1551 1622 CONECT 1551 1550 1552 1556 1621 CONECT 1552 1551 1553 1554 1555 CONECT 1553 1552 CONECT 1554 1552 CONECT 1555 1552 CONECT 1556 1551 1557 1558 CONECT 1557 1556 CONECT 1558 1556 1559 1620 CONECT 1559 1558 1560 1573 1619 CONECT 1560 1559 1561 1571 1572 CONECT 1561 1560 1562 1566 1570 CONECT 1562 1561 1563 1564 1565 CONECT 1563 1562 CONECT 1564 1562 CONECT 1565 1562 CONECT 1566 1561 1567 1568 1569 CONECT 1567 1566 CONECT 1568 1566 CONECT 1569 1566 CONECT 1570 1561 CONECT 1571 1560 CONECT 1572 1560 CONECT 1573 1559 1574 1575 CONECT 1574 1573 CONECT 1575 1573 1576 1618 CONECT 1576 1575 1577 1590 1617 CONECT 1577 1576 1578 1588 1589 CONECT 1578 1577 1579 1583 1587 CONECT 1579 1578 1580 1581 1582 CONECT 1580 1579 CONECT 1581 1579 CONECT 1582 1579 CONECT 1583 1578 1584 1585 1586 CONECT 1584 1583 CONECT 1585 1583 CONECT 1586 1583 CONECT 1587 1578 CONECT 1588 1577 CONECT 1589 1577 CONECT 1590 1576 1591 1592 CONECT 1591 1590 CONECT 1592 1590 1593 1616 CONECT 1593 1592 1594 1612 1615 CONECT 1594 1593 1595 1610 1611 CONECT 1595 1594 1596 1608 1609 CONECT 1596 1595 1597 1606 1607 CONECT 1597 1596 1598 1605 CONECT 1598 1597 1599 1602 CONECT 1599 1598 1600 1601 CONECT 1600 1599 CONECT 1601 1599 CONECT 1602 1598 1603 1604 CONECT 1603 1602 CONECT 1604 1602 CONECT 1605 1597 CONECT 1606 1596 CONECT 1607 1596 CONECT 1608 1595 CONECT 1609 1595 CONECT 1610 1594 CONECT 1611 1594 CONECT 1612 1593 1613 1614 CONECT 1613 1612 CONECT 1614 1612 CONECT 1615 1593 CONECT 1616 1592 CONECT 1617 1576 CONECT 1618 1575 CONECT 1619 1559 CONECT 1620 1558 CONECT 1621 1551 CONECT 1622 1550 CONECT 1623 1547 1624 1630 1631 CONECT 1624 1623 1625 1628 1629 CONECT 1625 1624 1626 1627 CONECT 1626 1625 CONECT 1627 1625 CONECT 1628 1624 CONECT 1629 1624 CONECT 1630 1623 CONECT 1631 1623 CONECT 1632 1547 CONECT 1633 1546 CONECT 1634 1543 1635 1646 1647 CONECT 1635 1634 1636 1640 CONECT 1636 1635 1637 1645 CONECT 1637 1636 1638 1644 CONECT 1638 1637 1639 1643 CONECT 1639 1638 1640 1642 CONECT 1640 1635 1639 1641 CONECT 1641 1640 CONECT 1642 1639 CONECT 1643 1638 CONECT 1644 1637 CONECT 1645 1636 CONECT 1646 1634 CONECT 1647 1634 CONECT 1648 1543 CONECT 1649 1542 CONECT 1650 1535 CONECT 1651 1534 CONECT 1652 1518 CONECT 1653 1517 CONECT 1654 1505 CONECT 1655 1483 CONECT 1656 1482 CONECT 1657 1461 CONECT 1658 1460 CONECT 1659 1457 1660 1663 1664 CONECT 1660 1659 1661 1662 CONECT 1661 1660 CONECT 1662 1660 CONECT 1663 1659 CONECT 1664 1659 CONECT 1665 1457 CONECT 1666 1456 CONECT 1667 1456 CONECT 1668 1456 MASTER 0 0 0 0 0 0 0 0 1667 1 217 7 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 3iwy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1abt
RCSB PDB
PDBbind
12-mer
1br8
RCSB PDB
PDBbind
12-mer
1dkd
RCSB PDB
PDBbind
12-mer
1gwr
RCSB PDB
PDBbind
12-mer
1hgt
RCSB PDB
PDBbind
12-mer
1i8i
RCSB PDB
PDBbind
12-mer
1jpl
RCSB PDB
PDBbind
12-mer
1jyi
RCSB PDB
PDBbind
12-mer
1ka7
RCSB PDB
PDBbind
12-mer
1lf8
RCSB PDB
PDBbind
12-mer
1mq1
RCSB PDB
PDBbind
12-mer
1mwn
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
3iwy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human MDM2 (Synthetic construct, 25-109)
Ligand Name
12-mer
EC.Number
E.C.6.3.2.-
Resolution
1.93(Å)
Affinity (Kd/Ki/IC50)
Kd=53nM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Proc.Natl.Acad.Sci.USA Vol. 398: pp. 200-213
Ligand Properties
Formula
C
7
5
H
1
0
7
N
1
7
O
1
7
Molecular Weight
1518.760
Exact Mass
1517.800
No. of atoms
216
No. of bonds
221
Polar Surface Area
548.44
LOGP Value
6.80 (
Computed with XLOGP3
)
3.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 51
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 6
Canonical SMILES
CC(C[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)CCC[NH+]=C(N)N)CC(C)C)CC(C)C)C)CCC(=O)O)Cc1ccccc1)C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](CC(=O)O)[NH3+])C
InChI String
InChI=1S/C75H105N17O17/c1-39(2)30-54(90-72(106)60-25-17-29-92(60)73(107)59(35-46-38-81-51-23-15-13-21-48(46)51)91-71(105)58(88-65(99)49(76)36-62(95)96)34-45-37-80-50-22-14-12-20-47(45)50)67(101)83-43(8)64(98)87-57(33-44-18-10-9-11-19-44)70(104)84-52(26-27-61(93)94)66(100)82-42(7)63(97)86-55(31-40(3)4)69(103)89-56(32-41(5)6)68(102)85-53(74(108)109)24-16-28-79-75(77)78/h9-15,18-23,37-43,49,52-60,80-81H,16-17,24-36,76H2,1-8H3,(H,82,100)(H,83,101)(H,84,104)(H,85,102)(H,86,97)(H,87,98)(H,88,99)(H,89,103)(H,90,106)(H,91,105)(H,93,94)(H,95,96)(H,108,109)(H4,77,78,79)/p+2/t42-,43-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com